Phosphocysteamine
PubChem CID
2916
Structure
Molecular Formula
Synonyms
- Phosphocysteamine
- Cysteamine S-phosphate
- 5746-40-7
- Cysteamine-S-phosphate
- 2-aminoethylsulfanylphosphonic acid
Molecular Weight
157.13 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-03-25
- Modify:2025-01-11
Description
Cysteamine S-phosphate is an organic thiophosphate that is the S-phospho derivative of cysteamine. It is an organic thiophosphate and a primary amino compound. It is functionally related to a cysteamine. It is a conjugate acid of a cysteamine S-phosphate(2-).
Proposed as an adjuvant to cancer chemotherapy; may have radiation protective properties.
Chemical Structure Depiction
2-aminoethylsulfanylphosphonic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C2H8NO3PS/c3-1-2-8-7(4,5)6/h1-3H2,(H2,4,5,6)
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
RZPNFYXFSHGGBE-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C(CSP(=O)(O)O)N
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C2H8NO3PS
Computed by PubChem 2.2 (PubChem release 2024.11.20)
- beta Aminoethylthiophosphate, Sodium Salt
- beta-Aminoethylthiophosphate, Sodium Salt
- Cistafos
- Cistaphos
- Cystafos
- Cystaphos
- Phosphocysteamine
- Salt beta-Aminoethylthiophosphate, Sodium
- Sodium Salt beta-Aminoethylthiophosphate
- WR 638
- WR-638
- WR638
- Phosphocysteamine
- Cysteamine S-phosphate
- 5746-40-7
- Cysteamine-S-phosphate
- 2-aminoethylsulfanylphosphonic acid
- S-phosphocysteamine
- S-(2-Aminoethyl) phosphorothioate
- UNII-WFH6A9S0V4
- WFH6A9S0V4
- NSC 118587
- s-(2-aminoethyl) dihydrogen phosphorothioate
- NSC-118587
- PHOSPHOCYSTEAMINE [MI]
- Phosphorothioic acid, S-(2-aminoethyl) ester
- 2-Aminoethanethiol dihydrogen phosphate (ester)
- CHEBI:74951
- WR 638
- DTXSID40206069
- PHOSPHOCYSTEAMINE [WHO-DD]
- Ethanethiol, 2-amino-, dihydrogen phosphate (ester)
- 2-Aminoethanethiol dihydrogen phosphate
- Ethanethiol, 2-amino-, S-ester with phosphorothioic acid
- ETHANETHIOL, 2-AMINO-, 1-(DIHYDROGEN PHOSPHATE)
- cysteinamine-S-phosphate
- NCIOpen2_001142
- SCHEMBL1650342
- DTXCID90128560
- NSC118587
- AKOS006228066
- beta Aminoethylthiophosphate, Sodium Salt
- Phosphorothioic acid, S-(2-aminoethyl) ester (8CI)
- Q27145033
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
157.13 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
-4.4
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
156.99625129 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
156.99625129 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
109 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
8
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
101
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Radiation-Protective Agents
Drugs used to protect against ionizing radiation. They are usually of interest for use in radiation therapy but have been considered for other purposes, e.g. military. (See all compounds classified as Radiation-Protective Agents.)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=RZPNFYXFSHGGBE-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/Cysteamine S-phosphatehttps://commonchemistry.cas.org/detail?cas_rn=5746-40-7
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DrugBankLICENSECreative Common's Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/legalcode)https://www.drugbank.ca/legal/terms_of_usePhosphocysteaminehttps://www.drugbank.ca/drugs/DB17640
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- EPA DSSToxPhosphocysteaminehttps://comptox.epa.gov/dashboard/DTXSID40206069CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingPHOSPHOCYSTEAMINEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/WFH6A9S0V4
- ChEBICysteamine S-phosphatehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:74951
- Human Metabolome Database (HMDB)LICENSEHMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.http://www.hmdb.ca/citingPhosphocysteaminehttp://www.hmdb.ca/metabolites/HMDB0256474
- Japan Chemical Substance Dictionary (Nikkaji)
- Springer Nature
- Wikidataphosphocysteaminehttps://www.wikidata.org/wiki/Q27145033
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlRadiation-Protective Agentshttps://www.ncbi.nlm.nih.gov/mesh/68011837
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 459385840https://pubchem.ncbi.nlm.nih.gov/substance/459385840
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