Sodium perchlorate (T3D1915)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesGene RegulationTargets (12)XML
Targets (12)
Record Information
Version2.0
Creation Date2009-06-24 15:20:02 UTC
Update Date2014-12-24 20:24:53 UTC
Accession NumberT3D1915
Identification
Common NameSodium perchlorate
ClassSmall Molecule
DescriptionSodium perchlorate is a perchlorate of sodium and has the formula NaClO4. Sodium perchlorate melts with decomposition at 480
Compound Type
  • Food Toxin
  • Inorganic Compound
  • Lachrymator
  • Perchlorate
  • Synthetic Compound
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
Synonym
Irenat
KM sodium perchlorate
NaClO4
Natriumperchloraat
Natriumperchlorat
Perchlorate de sodium
Perchloric acid, sodium salt
Sodio
Sodium perchlorate hydrate
Sodium perchlorate monohydrate
Sodium perchloric acid
Chemical FormulaClNaO4
Average Molecular Mass122.440 g/mol
Monoisotopic Mass121.938 g/mol
CAS Registry Number7601-89-0
IUPAC Namesodium perchlorate
Traditional Namesodium perchlorate
SMILES[Na]O[Cl](=O)(=O)=O
InChI IdentifierInChI=1S/ClHO4.Na/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1
InChI KeyInChIKey=BAZAXWOYCMUHIX-UHFFFAOYSA-M
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as alkali metal perchlorates. These are inorganic compounds in which the largest oxoanion is perchlorate, and in which the heaviest atom not in an oxoanion is an alkali metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkali metal oxoanionic compounds
Sub ClassAlkali metal perchlorates
Direct ParentAlkali metal perchlorates
Alternative Parents
Substituents
  • Alkali metal perchlorate
  • Inorganic sodium salt
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateSolid
AppearanceWhite crystalline solid (8).
Experimental Properties
PropertyValue
Melting Point480°C
Boiling PointNot Available
Solubility2100 mg/mL at 25°C [VOGT,H et al. (1986)]
LogPNot Available
Predicted Properties
PropertyValueSource
logP0.051ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area60.44 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity11.82 m³·mol⁻¹ChemAxon
Polarizability7.04 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
SpectraNot Available
Toxicity Profile
Route of ExposureInhalation (7) ; oral (7) ; dermal (7) ; eye contact (7).
Mechanism of ToxicityThe primary and most sensitive target of the perchlorate anion (perchlorate) is the thyroid gland. Perchlorate inhibits the transport of iodide (I-) from the blood into the thyroid follicle cells. The inhibition is thought to be accomplished by perchlorate competitively blocking iodide binding to a carrier, or sodium/iodide symporter (NIS), which catalyzes the simultaneous transfer of Na+ and I-across the basolateral membrane of thyroid follicle cells. Perchlorate inhibition of the NIS can limit the availability of iodide needed for the production of the thyroid hormones thyroxine (4) and triiodothyronine (5), which in turn, may affect the circulating levels of T4 and T3. All known effects of perchlorate on the thyroid hormone system derive directly or secondarily from the inhibition of the NIS. T3 is essential for normal development of the nervous system and for the regulation of metabolism of cells in nearly all tissues of the body. Disruption in the availability of T3 in target tissues can result in adverse effects on a wide variety of organs and systems (7).
MetabolismThere is no evidence that sodium perchlorate is metabolized in the body. It is rapidly eliminated from the body through the urinary tract (7).
Toxicity ValuesLD50: 2100 mg/kg (Oral, Rat) (2)
Lethal DoseNot Available
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Uses/SourcesBreathing in contaminated air; drinking contaminated water; eating contaminated food; dermal and eye exposure (7).
Minimum Risk LevelChronic Oral: 0.0007 mg/kg/day (9)
Health EffectsAdverse effects on a wide variety of organ systems can result from disruption in the availability of T3 to target tissues. Organ systems affected by disturbances in T3 levels include the skin, cardiovascular system, pulmonary system, kidneys, gastrointestinal tract, liver, blood, neuromuscular system, central nervous system, skeleton, male and female reproductive systems, and numerous endocrine organs, including the pituitary and adrenal glands. Such an array of secondary potential targets underscores the need to maintain an adequate level of circulating thyroid hormones. Perchlorate, an environmental contaminant, is known to disturb the hypothalamus-pituitary-thyroid (HPT) axis by blocking iodide accumulation in the thyroid. Iodide deficiency can lead to hypothyroidism and goiter (7, 1).
SymptomsIrritating to skin, eyes, and respiratory system, depending on the route of exposure. Esophageal or gastrointestinal tract irritation could occur following exposures (7).
TreatmentIn case of oral exposure, immediately dilute with 4 to 8 ounces (120 to 240 mol) of water or milk. Consider after ingestion of a potentially life-threatening amount of poison if it can be performed soon after ingestion (generally within 1 hour). Protect airway by placement in Trendelenburg and left lateral decubitus position or by endotracheal intubation. Control any seizures first. Maintain ventilation and oxygenation and evaluate with frequent arterial blood gas or pulse oximetry monitoring. Early use of PEEP and mechanical ventilation may be needed. Following inhalation, Move patient to fresh air. Monitor for respiratory distress. If cough or difficulty breathing develops, evaluate for respiratory tract irritation, bronchitis, or pneumonitis. Administer oxygen and assist ventilation as required. Treat bronchospasm with inhaled beta2 agonist and oral or parenteral corticosteroids. In case of acute lung injury, maintain ventilation and oxygenation and evaluate with frequent arterial blood gas or pulse oximetry monitoring. Following eye exposure, irrigate exposed eyes with copious amounts of room temperature water for at least 15 minutes. Following dermal exposure, remove contaminated clothing and wash exposed area thoroughly with soap and water. A physician may need to examine the area if irritation or pain persists. Treat dermal irritation or burns with standard topical therapy. Patients developing dermal hypersensitivity reactions may require treatment with systemic or topical corticosteroids or antihistamines. (3)
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
PubChem Compound ID522606
ChEMBL IDCHEMBL1644700
ChemSpider ID22668
KEGG IDNot Available
UniProt IDNot Available
OMIM ID
ChEBI IDNot Available
BioCyc IDNot Available
CTD IDC031068
Stitch IDSodium perchlorate
PDB IDNot Available
ACToR IDNot Available
Wikipedia LinkNot Available
References
Synthesis ReferenceNot Available
MSDST3D1915.pdf
General References
  1. Innocenti A, Vullo D, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors. Inhibition of isozymes I, II, IV, V, and IX with anions isosteric and isoelectronic with sulfate, nitrate, and carbonate. Bioorg Med Chem Lett. 2005 Feb 1;15(3):567-71. [15664814 ]
  2. Clayton GD and Clayton FE (eds) (1993-1994). Patty's Industrial Hygiene and Toxicology. Volumes 2A, 2B, 2C, 2D, 2E, 2F: Toxicology. 4th ed. New York, NY: John Wiley & Sons Inc.
  3. Rumack BH (2009). POISINDEX(R) Information System. Englewood, CO: Micromedex, Inc. CCIS Volume 141, edition expires Aug, 2009.
  4. Ellenhorn MJ and Barceloux DG (1988). Diagnosis and treatment of human poisoning. Medical Toxicology. New York, New York: Elsevier Science Publishing Company, Inc.
  5. Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
  6. International Agency for Research on Cancer (2014). IARC Monographs on the Evaluation of Carcinogenic Risks to Humans. [Link]
  7. ATSDR - Agency for Toxic Substances and Disease Registry (2008). Toxicological profile for perchlorates. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
  8. Wikipedia. Sodium perchlorate. Last Updated 7 August 2009. [Link]
  9. ATSDR - Agency for Toxic Substances and Disease Registry (2008). Toxicological guide to perchlorates. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
Gene Regulation
Up-Regulated GenesNot Available
Down-Regulated GenesNot Available

Targets

Target Details
1. Carbonic anhydrase 2
General Function:
Zinc ion binding
Specific Function:
Essential for bone resorption and osteoclast differentiation (By similarity). Reversible hydration of carbon dioxide. Can hydrate cyanamide to urea. Involved in the regulation of fluid secretion into the anterior chamber of the eye. Contributes to intracellular pH regulation in the duodenal upper villous epithelium during proton-coupled peptide absorption. Stimulates the chloride-bicarbonate exchange activity of SLC26A6.
Gene Name:
CA2
Uniprot ID:
P00918
Molecular Weight:
29245.895 Da
Binding/Activity Constants
TypeValueAssay TypeAssay Source
Inhibitory>200000 uMNot AvailableBindingDB 36131
References
  1. Cincinelli A, Martellini T, Innocenti A, Scozzafava A, Supuran CT: Purification and inhibition studies with anions and sulfonamides of an alpha-carbonic anhydrase from the Antarctic seal Leptonychotes weddellii. Bioorg Med Chem. 2011 Mar 15;19(6):1847-51. doi: 10.1016/j.bmc.2011.02.015. Epub 2011 Feb 13. [21377369 ]
  2. Vullo D, Nishimori I, Minakuchi T, Scozzafava A, Supuran CT: Inhibition studies with anions and small molecules of two novel beta-carbonic anhydrases from the bacterial pathogen Salmonella enterica serovar Typhimurium. Bioorg Med Chem Lett. 2011 Jun 15;21(12):3591-5. doi: 10.1016/j.bmcl.2011.04.105. Epub 2011 Apr 28. [21570835 ]
  3. Ohradanova A, Vullo D, Pastorekova S, Pastorek J, Jackson DJ, Worheide G, Supuran CT: Anion inhibition studies of an alpha-carbonic anhydrase from the living fossil Astrosclera willeyana. Bioorg Med Chem Lett. 2012 Feb 1;22(3):1314-6. doi: 10.1016/j.bmcl.2011.12.085. Epub 2011 Dec 23. [22227210 ]
  4. Vullo D, De Luca V, Scozzafava A, Carginale V, Rossi M, Supuran CT, Capasso C: Anion inhibition studies of the fastest carbonic anhydrase (CA) known, the extremo-CA from the bacterium Sulfurihydrogenibium azorense. Bioorg Med Chem Lett. 2012 Dec 1;22(23):7142-5. doi: 10.1016/j.bmcl.2012.09.065. Epub 2012 Sep 27. [23072866 ]
  5. Nishimori I, Vullo D, Minakuchi T, Scozzafava A, Capasso C, Supuran CT: Restoring catalytic activity to the human carbonic anhydrase (CA) related proteins VIII, X and XI affords isoforms with high catalytic efficiency and susceptibility to anion inhibition. Bioorg Med Chem Lett. 2013 Jan 1;23(1):256-60. doi: 10.1016/j.bmcl.2012.10.103. Epub 2012 Nov 9. [23200251 ]
  6. Monti SM, De Simone G, Dathan NA, Ludwig M, Vullo D, Scozzafava A, Capasso C, Supuran CT: Kinetic and anion inhibition studies of a beta-carbonic anhydrase (FbiCA 1) from the C4 plant Flaveria bidentis. Bioorg Med Chem Lett. 2013 Mar 15;23(6):1626-30. doi: 10.1016/j.bmcl.2013.01.087. Epub 2013 Jan 30. [23414801 ]
  7. Vullo D, Isik S, Del Prete S, De Luca V, Carginale V, Scozzafava A, Supuran CT, Capasso C: Anion inhibition studies of the alpha-carbonic anhydrase from the pathogenic bacterium Vibrio cholerae. Bioorg Med Chem Lett. 2013 Mar 15;23(6):1636-8. doi: 10.1016/j.bmcl.2013.01.084. Epub 2013 Jan 29. [23414807 ]
Target Details
2. Carbonic anhydrase 1
General Function:
Zinc ion binding
Specific Function:
Reversible hydration of carbon dioxide. Can hydrates cyanamide to urea.
Gene Name:
CA1
Uniprot ID:
P00915
Molecular Weight:
28870.0 Da
Binding/Activity Constants
TypeValueAssay TypeAssay Source
Inhibitory>200000 uMNot AvailableBindingDB 36131
References
  1. Cincinelli A, Martellini T, Innocenti A, Scozzafava A, Supuran CT: Purification and inhibition studies with anions and sulfonamides of an alpha-carbonic anhydrase from the Antarctic seal Leptonychotes weddellii. Bioorg Med Chem. 2011 Mar 15;19(6):1847-51. doi: 10.1016/j.bmc.2011.02.015. Epub 2011 Feb 13. [21377369 ]
  2. Vullo D, Nishimori I, Minakuchi T, Scozzafava A, Supuran CT: Inhibition studies with anions and small molecules of two novel beta-carbonic anhydrases from the bacterial pathogen Salmonella enterica serovar Typhimurium. Bioorg Med Chem Lett. 2011 Jun 15;21(12):3591-5. doi: 10.1016/j.bmcl.2011.04.105. Epub 2011 Apr 28. [21570835 ]
  3. Ohradanova A, Vullo D, Pastorekova S, Pastorek J, Jackson DJ, Worheide G, Supuran CT: Anion inhibition studies of an alpha-carbonic anhydrase from the living fossil Astrosclera willeyana. Bioorg Med Chem Lett. 2012 Feb 1;22(3):1314-6. doi: 10.1016/j.bmcl.2011.12.085. Epub 2011 Dec 23. [22227210 ]
  4. Vullo D, De Luca V, Scozzafava A, Carginale V, Rossi M, Supuran CT, Capasso C: Anion inhibition studies of the fastest carbonic anhydrase (CA) known, the extremo-CA from the bacterium Sulfurihydrogenibium azorense. Bioorg Med Chem Lett. 2012 Dec 1;22(23):7142-5. doi: 10.1016/j.bmcl.2012.09.065. Epub 2012 Sep 27. [23072866 ]
  5. Nishimori I, Vullo D, Minakuchi T, Scozzafava A, Capasso C, Supuran CT: Restoring catalytic activity to the human carbonic anhydrase (CA) related proteins VIII, X and XI affords isoforms with high catalytic efficiency and susceptibility to anion inhibition. Bioorg Med Chem Lett. 2013 Jan 1;23(1):256-60. doi: 10.1016/j.bmcl.2012.10.103. Epub 2012 Nov 9. [23200251 ]
  6. Vullo D, Isik S, Del Prete S, De Luca V, Carginale V, Scozzafava A, Supuran CT, Capasso C: Anion inhibition studies of the alpha-carbonic anhydrase from the pathogenic bacterium Vibrio cholerae. Bioorg Med Chem Lett. 2013 Mar 15;23(6):1636-8. doi: 10.1016/j.bmcl.2013.01.084. Epub 2013 Jan 29. [23414807 ]
Target Details
3. Sodium/iodide cotransporter
General Function:
Sodium:iodide symporter activity
Specific Function:
Mediates iodide uptake in the thyroid gland.
Gene Name:
SLC5A5
Uniprot ID:
Q92911
Molecular Weight:
68665.63 Da
References
  1. MacAllister IE, Jakoby MG 4th, Geryk B, Schneider RL, Cropek DM: Use of the thyrocyte sodium iodide symporter as the basis for a perchlorate cell-based assay. Analyst. 2009 Feb;134(2):320-4. doi: 10.1039/b802710b. Epub 2008 Oct 30. [19173056 ]
Target Details
4. Sodium/potassium-transporting ATPase subunit alpha-1
General Function:
Steroid hormone binding
Specific Function:
This is the catalytic component of the active enzyme, which catalyzes the hydrolysis of ATP coupled with the exchange of sodium and potassium ions across the plasma membrane. This action creates the electrochemical gradient of sodium and potassium ions, providing the energy for active transport of various nutrients.
Gene Name:
ATP1A1
Uniprot ID:
P05023
Molecular Weight:
112895.01 Da
References
  1. Wikipedia. Arsenic pentasulfide. Last Updated 28 June 2009. [Link]
Target Details
5. Sodium/potassium-transporting ATPase subunit alpha-2
General Function:
Steroid hormone binding
Specific Function:
This is the catalytic component of the active enzyme, which catalyzes the hydrolysis of ATP coupled with the exchange of sodium and potassium ions across the plasma membrane. This action creates the electrochemical gradient of sodium and potassium, providing the energy for active transport of various nutrients.
Gene Name:
ATP1A2
Uniprot ID:
P50993
Molecular Weight:
112264.385 Da
References
  1. Wikipedia. Arsenic pentasulfide. Last Updated 28 June 2009. [Link]
Target Details
6. Sodium/potassium-transporting ATPase subunit alpha-3
General Function:
Steroid hormone binding
Specific Function:
This is the catalytic component of the active enzyme, which catalyzes the hydrolysis of ATP coupled with the exchange of sodium and potassium ions across the plasma membrane. This action creates the electrochemical gradient of sodium and potassium ions, providing the energy for active transport of various nutrients.
Gene Name:
ATP1A3
Uniprot ID:
P13637
Molecular Weight:
111747.51 Da
References
  1. Wikipedia. Arsenic pentasulfide. Last Updated 28 June 2009. [Link]
Target Details
7. Sodium/potassium-transporting ATPase subunit alpha-4
General Function:
Sodium:potassium-exchanging atpase activity
Specific Function:
This is the catalytic component of the active enzyme, which catalyzes the hydrolysis of ATP coupled with the exchange of sodium and potassium ions across the plasma membrane. This action creates the electrochemical gradient of sodium and potassium ions, providing the energy for active transport of various nutrients. Plays a role in sperm motility.
Gene Name:
ATP1A4
Uniprot ID:
Q13733
Molecular Weight:
114165.44 Da
References
  1. Wikipedia. Arsenic pentasulfide. Last Updated 28 June 2009. [Link]
Target Details
8. Sodium/potassium-transporting ATPase subunit beta-1
General Function:
Sodium:potassium-exchanging atpase activity
Specific Function:
This is the non-catalytic component of the active enzyme, which catalyzes the hydrolysis of ATP coupled with the exchange of Na(+) and K(+) ions across the plasma membrane. The beta subunit regulates, through assembly of alpha/beta heterodimers, the number of sodium pumps transported to the plasma membrane.Involved in cell adhesion and establishing epithelial cell polarity.
Gene Name:
ATP1B1
Uniprot ID:
P05026
Molecular Weight:
35061.07 Da
References
  1. Wikipedia. Arsenic pentasulfide. Last Updated 28 June 2009. [Link]
Target Details
9. Sodium/potassium-transporting ATPase subunit beta-2
General Function:
Sodium:potassium-exchanging atpase activity
Specific Function:
This is the non-catalytic component of the active enzyme, which catalyzes the hydrolysis of ATP coupled with the exchange of Na(+) and K(+) ions across the plasma membrane. The exact function of the beta-2 subunit is not known.Mediates cell adhesion of neurons and astrocytes, and promotes neurite outgrowth.
Gene Name:
ATP1B2
Uniprot ID:
P14415
Molecular Weight:
33366.925 Da
References
  1. Wikipedia. Arsenic pentasulfide. Last Updated 28 June 2009. [Link]
Target Details
10. Sodium/potassium-transporting ATPase subunit beta-3
General Function:
Sodium:potassium-exchanging atpase activity
Specific Function:
This is the non-catalytic component of the active enzyme, which catalyzes the hydrolysis of ATP coupled with the exchange of Na(+) and K(+) ions across the plasma membrane. The exact function of the beta-3 subunit is not known.
Gene Name:
ATP1B3
Uniprot ID:
P54709
Molecular Weight:
31512.34 Da
References
  1. Wikipedia. Arsenic pentasulfide. Last Updated 28 June 2009. [Link]
Target Details
11. Sodium/potassium-transporting ATPase subunit gamma
General Function:
Transporter activity
Specific Function:
May be involved in forming the receptor site for cardiac glycoside binding or may modulate the transport function of the sodium ATPase.
Gene Name:
FXYD2
Uniprot ID:
P54710
Molecular Weight:
7283.265 Da
References
  1. Wikipedia. Arsenic pentasulfide. Last Updated 28 June 2009. [Link]
Target Details
12. Transient receptor potential cation channel subfamily A member 1
General Function:
Temperature-gated cation channel activity
Specific Function:
Receptor-activated non-selective cation channel involved in detection of pain and possibly also in cold perception and inner ear function (PubMed:25389312, PubMed:25855297). Has a central role in the pain response to endogenous inflammatory mediators and to a diverse array of volatile irritants, such as mustard oil, cinnamaldehyde, garlic and acrolein, an irritant from tears gas and vehicule exhaust fumes (PubMed:25389312, PubMed:20547126). Is also activated by menthol (in vitro)(PubMed:25389312). Acts also as a ionotropic cannabinoid receptor by being activated by delta(9)-tetrahydrocannabinol (THC), the psychoactive component of marijuana (PubMed:25389312). May be a component for the mechanosensitive transduction channel of hair cells in inner ear, thereby participating in the perception of sounds. Probably operated by a phosphatidylinositol second messenger system (By similarity).
Gene Name:
TRPA1
Uniprot ID:
O75762
Molecular Weight:
127499.88 Da
References
  1. Nilius B, Prenen J, Owsianik G: Irritating channels: the case of TRPA1. J Physiol. 2011 Apr 1;589(Pt 7):1543-9. doi: 10.1113/jphysiol.2010.200717. Epub 2010 Nov 15. [21078588 ]