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Record Information
Version2.0
Creation Date2009-03-06 11:58:02 -0700
Update Date2014-12-08 11:50:11 -0700
Accession NumberT3D0076
Identification
Common NameDi(2-ethylhexyl)phthalate
ClassSmall Molecule
DescriptionDi(2-ethylhexyl) phthlate (DEHP) is a manufactured chemical that is commonly added to plastics to make them flexible. DEHP exposure is generally low and not harmful, but increased exposures resulting from intravenous fluids delivered through plastic tubing or ingesting contaminated foods or water may have toxic effects. This is of particular concern since DEHP is known to leach into liquid that come in contact with DEHP containing plastic. (6, 7)
Compound Type
  • Aromatic Hydrocarbon
  • Cosmetic Toxin
  • Ester
  • Ether
  • Food Toxin
  • Household Toxin
  • Industrial/Workplace Toxin
  • Organic Compound
  • Phthalate
  • Plasticizer
  • Pollutant
  • Synthetic Compound
Chemical Structure
Thumb
Synonyms
Synonym
1, 2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester
1, 2-Benzenedicarboxylic acid, bis(ethylhexyl) ester
1,2-Benzenedicarboxylic acid
1,2-Benzenedicarboxylic acid bis(2-ethylhexyl) ester
1,2-Benzenedicarboxylic acid bis-(1-ethylhexyl) ester
1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester
1,2-Benzenedicarboxylic acid, bis(ethylhexyl) ester
1,2-Benzenedicarboxylic acid, bis-(1-ethylhexyl) ester
2-Ethylhexyl phthalate
Benzenedicarboxylic acid, bis(2-ethylhexyl) ester
Bi(2-ethylhexyl)trimellitate ester
Bis (2-Etheylexyl) Phthalate
Bis (2-Ethylhexyl) Phthalate (Dioctyl phthalate)
Bis(2-ethylhexy) phthalate
Bis(2-ethylhexyl) 1, 2-benzenedicarboxylate
Bis(2-ethylhexyl) 1,2-benzenedicarboxylate
Bis(2-ethylhexyl) o-phthalate
Bis(2-ethylhexyl) phthalate
Bis(2-ethylhexyl) phthalate-ring-UL-14C
Bis(2-ethylhexyl)ester phthalic acid
Bis(ethylhexyl) phthalate
Bis-(2-ethylhexyl) 1,2-benzenedicar boxylate
Bis-(2-ethylhexyl) 1,2-benzenedicarboxylate
Bis-(2-ethylhexyl)-phthalate (DEHP)
Bis-2-ethyl-hexyl-phthalate
DEHP
Di(2-Ethylhexyl phthalate)
Di(2-ethylhexyl) o-phthalate
Di(2-ethylhexyl) orthophthalate
Di(2-ethylhexyl) phthalate
Di(2-ethylhexyl)orthophthalate
Di(2-ethylhexyl)phthalic acid
Di(ethylhexyl) phthalate
Di-(2-ethylhexyl) phthalate
Di-2 ethyl hexyl adipate
Di-2-ethyl hexyl azelate
Di-2-ethylhexyl phthalate
Di-2-ethylhexylphthalate
Di-iso-octyl phthalate
Di-sec-octyl phthalate
Diacizer dop
Dicapryl phthalate
Diethylhexyl phthalate
Dioctyl o-benzenedicarboxylate
Dioctyl phthalate
Dioctyl-o-benzenedicarboxylate
Dioctylphthalate
Ergoplas t fdo
Ergoplast fdo
Ergoplast fdo-s
Etalon
Etalon (plasticizer)
Ethyl hexyl phthalate
Ethylhexyl phthalate
Fleximel
Flexol dop
Flexol plasticizer dop
Good-rite gp 264
Hatcol dop
Hercoflex 260
Jayflex dop
Kodaflex dehp
Kodaflex dop
Kodaflex DP
Merrol dop
Mollan o
Monocizer dop
Morflex 310
Morflex 410
N-dioctyl phthalate
Nuoplaz dop
O-Benzenedicarboxylic acid, dioctyl ester
Octoil
Octyl PH thalate
Octyl phthalate
Phthalic acid bis(2-ethylhexyl ester)
Phthalic acid bis(2-ethylhexyl ester)-ring-ul-14C
Phthalic acid bis(2-ethylhexyl) ester
Phthalic acid di(2-ethylhexyl) ester
Phthalic acid dioctyl ester
Phthalic acid, bis(2-ethylhexyl) ester
Phthalic acid, dioctyl ester
Pittsburgh PX-138
Plasthall dop
Plasticizer 28P
Polycizer 162
Polycizer dop
RC plasticizer dop
Reomol D 79P
Reomol DCP
Reomol dop
Sansocizer dop
Sansocizer R 8000
Sconamoll dop
Sicol 150
Staflex dop
Truflex dop
Union carbide flexo l 380
Union carbide flexol 380
Vestinol ah
Vinicizer 80
Witcizer 312
Chemical FormulaC24H38O4
Average Molecular Mass390.556 g/mol
Monoisotopic Mass390.277 g/mol
CAS Registry Number117-81-7
IUPAC Name1,2-bis(2-ethylhexyl) benzene-1,2-dicarboxylate
Traditional Nameetalon
SMILESCCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC
InChI IdentifierInChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
InChI KeyInChIKey=BJQHLKABXJIVAM-UHFFFAOYSA-N
Chemical Taxonomy
KingdomOrganic Compounds
Super ClassBenzenoids
ClassBenzene and Substituted Derivatives
Sub ClassBenzoic Acids and Derivatives
Direct ParentO-phthalic Acid and Derivatives
Alternative Parents
Substituents
  • Benzoate Ester
  • Benzylether
  • Benzoyl
  • Carboxylic Acid Ester
  • Ether
  • Organooxygen Compound
  • Carbonyl Group
  • Aromatic Homomonocyclic Compound
  • Carboxylic Acid Derivative
  • Dicarboxylic Acid Or Derivatives
Molecular FrameworkAromatic Homomonocyclic Compounds
External Descriptors
  • A Small Molecule (MetaCyc)
  • Phthalates (KEGG)
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Membrane
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
Applications
Biological Roles
Chemical Roles
Physical Properties
StateLiquid
AppearanceColoress liquid.
Experimental Properties
PropertyValue
Melting Point-55°C
Boiling Point385°C
Solubility0.00027 mg/mL at 25 °C [DEFOE,DL et al. (1990)]
LogPNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.000108ALOGPS
logP7.07ALOGPS
logP8.03ChemAxon
logS-6.6ALOGPS
pKa (Strongest Basic)-6.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area52.6 Å2ChemAxon
Rotatable Bond Count16ChemAxon
Refractivity114.41 m3·mol-1ChemAxon
Polarizability46.56 Å3ChemAxon
Spectra
SpectraMS1D NMR
Toxicity Profile
Route of ExposureOral (8) ; inhalation (8) ; dermal (8)
Mechanism of ToxicityMonoethylhexylphthalate (MEHP), one of the major metabolites of DEHP, induces peroxisome proliferation by activating peroxisome proliferator activated receptors. This is believed to increase production of hydrogen peroxide by peroxisomes and enhance cell proliferation, leading to hepatotoxic and carcinogenic effects. MEHP is also believed to exhibit testicular toxicity by targeting and damaging the Sertoli cells. DEHP may act as an antiandrogen during a critical stage of reproductive tract differentiation by reducing testosterone in fetal males, hindering development. (6, 1)
MetabolismDEHP is mainly absorbed via ingestion. It is hydrolyzed in the small intestine and absorbed as monoethylhexylphthalate (MEHP) and 2-ethylhexanol, then likely distributed to the adipose tissues and kidneys. MEHP is further metabolized via numerous oxidative reactions, resulting in the formation of 30 or more metabolites, some of which can be conjugated with glucuronic acid for excretion. Oxidation of 2-ethylhexanol primarily yields 2-ethylhexanoic acid and several keto acid derivatives. Most DEHP metabolites are excreted in the urine as glucuronide conjugates, while unmetabolized DEHP is excreted in the faeces. (6)
Toxicity ValuesLD50: 33.9 g/kg (Oral, Rabbit) (3) LD50: 10 g/kg (Dermal, Guinea pig) (3) LD50: 30.7 g/kg (Intraperitoneal, Rat) (3)
Lethal DoseNot Available
Carcinogenicity (IARC Classification)2B, possibly carcinogenic to humans. (5)
Uses/SourcesDEHP is present in plastic products such as wall coverings, tablecloths, floor tiles, furniture upholstery, shower curtains, garden hoses, swimming pool liners, rainwear, baby pants, dolls, some toys, shoes, automobile upholstery and tops, packaging film and sheets, sheathing for wire and cable, medical tubing, and blood storage bags. (6)
Minimum Risk LevelIntermediate Oral: 0.1 mg/kg/day (4) Chronic Oral: 0.06 mg/kg/day (4)
Health EffectsChronic and/or high levels of DEHP exposure may cause reproductive and developmental damage. This includes damaged sperm, delayed sexual maturity, and deficiencies in the development of male babies. DEHP may also cause liver and kidney damage, and is potentially carcinogenic. (6, 7)
SymptomsPhthalate esters are endocrine disruptors and can cause a number of developmental malformations termed 'phthalate syndrome'. (2)
TreatmentNot Available
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
PubChem Compound ID8343
ChEMBL IDCHEMBL1242017
ChemSpider ID21106505
KEGG IDC03690
UniProt IDNot Available
OMIM ID
ChEBI ID17747
BioCyc IDBIS2-ETHYLHEXYLPHTHALATE
CTD IDD004051
Stitch IDDi(2-ethylhexyl)phthalate
PDB IDNot Available
ACToR ID617
Wikipedia LinkBis(2-ethylhexyl)phthalate
References
Synthesis ReferenceNot Available
MSDST3D0076.pdf
General References
  1. Lapinskas PJ, Brown S, Leesnitzer LM, Blanchard S, Swanson C, Cattley RC, Corton JC: Role of PPARalpha in mediating the effects of phthalates and metabolites in the liver. Toxicology. 2005 Feb 1;207(1):149-63. [15590130 ]
  2. Wilson VS, Blystone CR, Hotchkiss AK, Rider CV, Gray LE Jr: Diverse mechanisms of anti-androgen action: impact on male rat reproductive tract development. Int J Androl. 2008 Apr;31(2):178-87. doi: 10.1111/j.1365-2605.2007.00861.x. [18315717 ]
  3. WHO (1992). Environmental Health Criteria 131: Diethylhexyl Phthalate.
  4. ATSDR - Agency for Toxic Substances and Disease Registry (2001). Minimal Risk Levels (MRLs) for Hazardous Substances. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
  5. International Agency for Research on Cancer (2014). IARC Monographs on the Evaluation of Carcinogenic Risks to Humans. [Link]
  6. ATSDR - Agency for Toxic Substances and Disease Registry (2002). Toxicological profile for di(2-ethylhexyl)phthalate (DEHP). U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
  7. Wikipedia. Bis(2-ethylhexyl) phthalate. Last Updated 25 April 2009. [Link]
  8. Wikipedia. Phthalate. Last Updated 22 November 2009. [Link]
Gene Regulation
Up-Regulated Genes
GeneGene SymbolGene IDInteractionChromosomeDetails
Down-Regulated Genes
GeneGene SymbolGene IDInteractionChromosomeDetails

Targets

General Function:
Involved in transcription factor activity
Specific Function:
Orphan receptor; its natural ligand is probably pregnane. Binds to a response element in the CYP3A4 and ABCB1/MDR1 genes promoter. Activates its expression in response to a wide variety of endobiotics and xenobiotics
Gene Name:
NR1I2
Uniprot ID:
O75469
Molecular Weight:
49762.0 Da
Binding/Activity Constants
TypeValueAssay TypeAssay Source
AC505.56 uMNVS_NR_hPXRNovascreen
References
  1. Kretschmer XC, Baldwin WS: CAR and PXR: xenosensors of endocrine disrupters? Chem Biol Interact. 2005 Aug 15;155(3):111-28. [16054614 ]
  2. DeKeyser JG, Laurenzana EM, Peterson EC, Chen T, Omiecinski CJ: Selective phthalate activation of naturally occurring human constitutive androstane receptor splice variants and the pregnane X receptor. Toxicol Sci. 2011 Apr;120(2):381-91. doi: 10.1093/toxsci/kfq394. Epub 2011 Jan 12. [21227907 ]
  3. Sipes NS, Martin MT, Kothiya P, Reif DM, Judson RS, Richard AM, Houck KA, Dix DJ, Kavlock RJ, Knudsen TB: Profiling 976 ToxCast chemicals across 331 enzymatic and receptor signaling assays. Chem Res Toxicol. 2013 Jun 17;26(6):878-95. doi: 10.1021/tx400021f. Epub 2013 May 16. [23611293 ]
General Function:
Involved in DNA binding
Specific Function:
Receptor that binds peroxisome proliferators such as hypolipidemic drugs and fatty acids. Once activated by a ligand, the receptor binds to a promoter element in the gene for acyl-CoA oxidase and activates its transcription. It therefore controls the peroxisomal beta-oxidation pathway of fatty acids
Gene Name:
PPARA
Uniprot ID:
Q07869
Molecular Weight:
52226.0 Da
References
  1. Lapinskas PJ, Brown S, Leesnitzer LM, Blanchard S, Swanson C, Cattley RC, Corton JC: Role of PPARalpha in mediating the effects of phthalates and metabolites in the liver. Toxicology. 2005 Feb 1;207(1):149-63. [15590130 ]
  2. Sarath Josh MK, Pradeep S, Vijayalekshmi Amma KS, Balachandran S, Abdul Jaleel UC, Doble M, Spener F, Benjamin S: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor alpha, beta, gamma subtypes: an in silico approach. J Appl Toxicol. 2014 Jul;34(7):754-65. doi: 10.1002/jat.2902. Epub 2013 Jul 11. [23843199 ]
General Function:
Involved in DNA binding
Specific Function:
Receptor that binds peroxisome proliferators such as hypolipidemic drugs and fatty acids. Once activated by a ligand, the receptor binds to a promoter element in the gene for acyl-CoA oxidase and activates its transcription. It therefore controls the peroxisomal beta-oxidation pathway of fatty acids. Decreases expression of NPC1L1 once activated by a ligand
Gene Name:
PPARD
Uniprot ID:
Q03181
Molecular Weight:
49904.0 Da
References
  1. Lapinskas PJ, Brown S, Leesnitzer LM, Blanchard S, Swanson C, Cattley RC, Corton JC: Role of PPARalpha in mediating the effects of phthalates and metabolites in the liver. Toxicology. 2005 Feb 1;207(1):149-63. [15590130 ]
  2. Sarath Josh MK, Pradeep S, Vijayalekshmi Amma KS, Balachandran S, Abdul Jaleel UC, Doble M, Spener F, Benjamin S: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor alpha, beta, gamma subtypes: an in silico approach. J Appl Toxicol. 2014 Jul;34(7):754-65. doi: 10.1002/jat.2902. Epub 2013 Jul 11. [23843199 ]
General Function:
Involved in DNA binding
Specific Function:
Receptor that binds peroxisome proliferators such as hypolipidemic drugs and fatty acids. Once activated by a ligand, the receptor binds to a promoter element in the gene for acyl-CoA oxidase and activates its transcription. It therefore controls the peroxisomal beta-oxidation pathway of fatty acids. Key regulator of adipocyte differentiation and glucose homeostasis
Gene Name:
PPARG
Uniprot ID:
P37231
Molecular Weight:
57621.0 Da
References
  1. Lapinskas PJ, Brown S, Leesnitzer LM, Blanchard S, Swanson C, Cattley RC, Corton JC: Role of PPARalpha in mediating the effects of phthalates and metabolites in the liver. Toxicology. 2005 Feb 1;207(1):149-63. [15590130 ]
  2. Sarath Josh MK, Pradeep S, Vijayalekshmi Amma KS, Balachandran S, Abdul Jaleel UC, Doble M, Spener F, Benjamin S: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor alpha, beta, gamma subtypes: an in silico approach. J Appl Toxicol. 2014 Jul;34(7):754-65. doi: 10.1002/jat.2902. Epub 2013 Jul 11. [23843199 ]
General Function:
Involved in Hsp90 protein binding
Specific Function:
Ligand-activated transcriptional activator. Binds to the XRE promoter region of genes it activates. Activates the expression of multiple phase I and II xenobiotic chemical metabolizing enzyme genes (such as the CYP1A1 gene). Mediates biochemical and toxic effects of halogenated aromatic hydrocarbons. Involved in cell-cycle regulation. Likely to play an important role in the development and maturation of many tissues
Gene Name:
AHR
Uniprot ID:
P35869
Molecular Weight:
96146.7 Da
References
  1. Mankidy R, Wiseman S, Ma H, Giesy JP: Biological impact of phthalates. Toxicol Lett. 2013 Feb 13;217(1):50-8. doi: 10.1016/j.toxlet.2012.11.025. Epub 2012 Dec 7. [23220035 ]
General Function:
Involved in transcription factor activity
Specific Function:
Nuclear hormone receptor. The steroid hormones and their receptors are involved in the regulation of eukaryotic gene expression and affect cellular proliferation and differentiation in target tissues
Gene Name:
ESR1
Uniprot ID:
P03372
Molecular Weight:
66217.0 Da
References
  1. Takeuchi S, Iida M, Kobayashi S, Jin K, Matsuda T, Kojima H: Differential effects of phthalate esters on transcriptional activities via human estrogen receptors alpha and beta, and androgen receptor. Toxicology. 2005 Jun 1;210(2-3):223-33. [15840436 ]
General Function:
Involved in transcription factor activity
Specific Function:
Nuclear hormone receptor. Binds estrogens with an affinity similar to that of ESR1, and activates expression of reporter genes containing estrogen response elements (ERE) in an estrogen-dependent manner. Isoform beta-cx lacks ligand binding ability and has no or only very low ere binding activity resulting in the loss of ligand-dependent transactivation ability. DNA- binding by ESR1 and ESR2 is rapidly lost at 37 degrees Celsius in the absence of ligand while in the presence of 17 beta-estradiol and 4-hydroxy-tamoxifen loss in DNA-binding at elevated temperature is more gradual
Gene Name:
ESR2
Uniprot ID:
Q92731
Molecular Weight:
59217.0 Da
References
  1. Takeuchi S, Iida M, Kobayashi S, Jin K, Matsuda T, Kojima H: Differential effects of phthalate esters on transcriptional activities via human estrogen receptors alpha and beta, and androgen receptor. Toxicology. 2005 Jun 1;210(2-3):223-33. [15840436 ]
General Function:
Involved in androgen receptor activity
Specific Function:
Binds and transactivates the retinoic acid response elements that control expression of the retinoic acid receptor beta 2 and alcohol dehydrogenase 3 genes. Transactivates both the phenobarbital responsive element module of the human CYP2B6 gene and the CYP3A4 xenobiotic response element
Gene Name:
NR1I3
Uniprot ID:
Q14994
Molecular Weight:
39942.1 Da
References
  1. DeKeyser JG, Laurenzana EM, Peterson EC, Chen T, Omiecinski CJ: Selective phthalate activation of naturally occurring human constitutive androstane receptor splice variants and the pregnane X receptor. Toxicol Sci. 2011 Apr;120(2):381-91. doi: 10.1093/toxsci/kfq394. Epub 2011 Jan 12. [21227907 ]
General Function:
Involved in transcription factor activity
Specific Function:
Nuclear hormone receptor. Involved in the retinoic acid response pathway. Binds 9-cis retinoic acid (9C-RA). ARF6 acts as a key regulator of the tissue-specific adipocyte P2 (aP2) enhancer
Gene Name:
RXRA
Uniprot ID:
P19793
Molecular Weight:
50812.0 Da
References
  1. Sarath Josh MK, Pradeep S, Vijayalekshmi Amma KS, Balachandran S, Abdul Jaleel UC, Doble M, Spener F, Benjamin S: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor alpha, beta, gamma subtypes: an in silico approach. J Appl Toxicol. 2014 Jul;34(7):754-65. doi: 10.1002/jat.2902. Epub 2013 Jul 11. [23843199 ]
General Function:
Cell cycle control, cell division, chromosome partitioning
Specific Function:
Nuclear hormone receptor. Involved in the retinoic acid response pathway. Binds 9-cis retinoic acid (9C-RA)
Gene Name:
RXRB
Uniprot ID:
P28702
Molecular Weight:
56922.0 Da
References
  1. Sarath Josh MK, Pradeep S, Vijayalekshmi Amma KS, Balachandran S, Abdul Jaleel UC, Doble M, Spener F, Benjamin S: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor alpha, beta, gamma subtypes: an in silico approach. J Appl Toxicol. 2014 Jul;34(7):754-65. doi: 10.1002/jat.2902. Epub 2013 Jul 11. [23843199 ]
General Function:
Involved in sulfotransferase activity
Specific Function:
Catalyzes the sulfation of steroids and bile acids in the liver and adrenal glands
Gene Name:
SULT2A1
Uniprot ID:
Q06520
Molecular Weight:
33780.0 Da
Binding/Activity Constants
TypeValueAssay TypeAssay Source
AC500.48 uMCLZD_SULT2A1_6CellzDirect
AC500.48 uMCLZD_SULT2A1_6CellzDirect
References
  1. Sipes NS, Martin MT, Kothiya P, Reif DM, Judson RS, Richard AM, Houck KA, Dix DJ, Kavlock RJ, Knudsen TB: Profiling 976 ToxCast chemicals across 331 enzymatic and receptor signaling assays. Chem Res Toxicol. 2013 Jun 17;26(6):878-95. doi: 10.1021/tx400021f. Epub 2013 May 16. [23611293 ]
General Function:
Secondary metabolites biosynthesis, transport and catabolism
Specific Function:
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics
Gene Name:
CYP2B6
Uniprot ID:
P20813
Molecular Weight:
56277.8 Da
Binding/Activity Constants
TypeValueAssay TypeAssay Source
AC505.88 uMCLZD_CYP2B6_6CellzDirect
AC503.97 uMCLZD_CYP2B6_24CellzDirect
AC501.38 uMCLZD_CYP2B6_48CellzDirect
References
  1. Sipes NS, Martin MT, Kothiya P, Reif DM, Judson RS, Richard AM, Houck KA, Dix DJ, Kavlock RJ, Knudsen TB: Profiling 976 ToxCast chemicals across 331 enzymatic and receptor signaling assays. Chem Res Toxicol. 2013 Jun 17;26(6):878-95. doi: 10.1021/tx400021f. Epub 2013 May 16. [23611293 ]
General Function:
Involved in cytokine activity
Specific Function:
Granulocyte/macrophage colony-stimulating factors are cytokines that act in hematopoiesis by controlling the production, differentiation, and function of 2 related white cell populations of the blood, the granulocytes and the monocytes-macrophages. CSF- 1 induces cells of the monocyte/macrophage lineage. It plays a role in immunological defenses, bone metabolism, lipoproteins clearance, fertility and pregnancy
Gene Name:
CSF1
Uniprot ID:
P09603
Molecular Weight:
60120.0 Da
Binding/Activity Constants
TypeValueAssay TypeAssay Source
AC501.48 uMBSK_hDFCGF_MCSF_downBioSeek
References
  1. Sipes NS, Martin MT, Kothiya P, Reif DM, Judson RS, Richard AM, Houck KA, Dix DJ, Kavlock RJ, Knudsen TB: Profiling 976 ToxCast chemicals across 331 enzymatic and receptor signaling assays. Chem Res Toxicol. 2013 Jun 17;26(6):878-95. doi: 10.1021/tx400021f. Epub 2013 May 16. [23611293 ]
General Function:
Involved in proteolysis and tissue remodeling
Specific Function:
May play an essential role in local proteolysis of the extracellular matrix and in leukocyte migration. Could play a role in bone osteoclastic resorption. Cleaves KiSS1 at a Gly-|-Leu bond
Gene Name:
Not Available
Uniprot ID:
P14780
Molecular Weight:
78428.0 Da
Binding/Activity Constants
TypeValueAssay TypeAssay Source
AC501.48 uMBSK_KF3CT_MMP9_downBioSeek
References
  1. Sipes NS, Martin MT, Kothiya P, Reif DM, Judson RS, Richard AM, Houck KA, Dix DJ, Kavlock RJ, Knudsen TB: Profiling 976 ToxCast chemicals across 331 enzymatic and receptor signaling assays. Chem Res Toxicol. 2013 Jun 17;26(6):878-95. doi: 10.1021/tx400021f. Epub 2013 May 16. [23611293 ]
General Function:
Involved in signal transduction
Specific Function:
Cytokine that affects the growth, movement, or activation state of cells that participate in immune and inflammatory response. Chemotactic for activated T-cells. Binds to CXCR3.
Gene Name:
CXCL9
Uniprot ID:
Q07325
Molecular Weight:
14018.72 Da
Binding/Activity Constants
TypeValueAssay TypeAssay Source
AC504.44 uMBSK_hDFCGF_MIG_downBioSeek
References
  1. Sipes NS, Martin MT, Kothiya P, Reif DM, Judson RS, Richard AM, Houck KA, Dix DJ, Kavlock RJ, Knudsen TB: Profiling 976 ToxCast chemicals across 331 enzymatic and receptor signaling assays. Chem Res Toxicol. 2013 Jun 17;26(6):878-95. doi: 10.1021/tx400021f. Epub 2013 May 16. [23611293 ]
General Function:
Signal transduction mechanisms
Specific Function:
Responsible for the manifestation of peripheral-type benzodiazepine recognition sites and is most likely to comprise binding domains for benzodiazepines and isoquinoline carboxamides. May play a role in the transport of porphyrins and heme
Gene Name:
TSPO
Uniprot ID:
P30536
Molecular Weight:
18779.0 Da
Binding/Activity Constants
TypeValueAssay TypeAssay Source
AC508.62 uMNVS_MP_hPBRNovascreen
AC508.90 uMNVS_MP_hPBRNovascreen
References
  1. Sipes NS, Martin MT, Kothiya P, Reif DM, Judson RS, Richard AM, Houck KA, Dix DJ, Kavlock RJ, Knudsen TB: Profiling 976 ToxCast chemicals across 331 enzymatic and receptor signaling assays. Chem Res Toxicol. 2013 Jun 17;26(6):878-95. doi: 10.1021/tx400021f. Epub 2013 May 16. [23611293 ]
General Function:
Involved in transcription factor activity
Specific Function:
Nuclear hormone receptor. VDR mediates the action of vitamin D3 by controlling the expression of hormone sensitive genes
Gene Name:
VDR
Uniprot ID:
P11473
Molecular Weight:
48290.0 Da
Binding/Activity Constants
TypeValueAssay TypeAssay Source
AC509.29 uMATG_VDRE_CISAttagene
References
  1. Sipes NS, Martin MT, Kothiya P, Reif DM, Judson RS, Richard AM, Houck KA, Dix DJ, Kavlock RJ, Knudsen TB: Profiling 976 ToxCast chemicals across 331 enzymatic and receptor signaling assays. Chem Res Toxicol. 2013 Jun 17;26(6):878-95. doi: 10.1021/tx400021f. Epub 2013 May 16. [23611293 ]