Amifostine Trihydrate - 10mM in Water , CAS No.112901-68-5

CAS: 112901-68-5 Cat. No.: A420668 Molecular Weight: 268.27 EC Number: 806-322-5

GRADE & PURITY 10mM in Water

Synonyms

Amifostine trihydrate|112901-68-5|Anifostine trihydrate|112901-68-5 (trihydrate)|M487QF2F4V|NSC 296961|S-(2-((3-aminopropyl)amino)ethyl) O,O-dihydrogen phosphorothioate trihydrate|Ethanethiol, 2-((3-aminopropyl)amino)-, dihydrogen phosphate (ester), trihy

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Application：

Amifostine may provide renal protection during PRRT using somatostatin analogs by mitigating radiation damage and reducing the absorbed kidney radiation dose. Amifostine remediates the degenerative effects of radiation on the mineralization capacity of the murine mandible.

Specifications

Synonyms

Amifostine trihydrate | 112901-68-5 | Anifostine trihydrate | 112901-68-5 (trihydrate) | M487QF2F4V | NSC 296961 | S-(2-((3-aminopropyl)amino)ethyl) O, O-dihydrogen phosphorothioate trihydrate | Ethanethiol, 2-((3-aminopropyl)amino)-, dihydrogen phosphate (ester), trihy

Specifications & Purity

10mM in Water

Biochemical and Physiological Mechanisms

Radioprotective agent. Selectively protects normal tissues from the damaging effects of anti-neoplastic radiation therapy. Selectivity is due to preferential uptake by normal tissues and subsequent metabolic activation to 2-(3-aminopropyl)aminoethanethiol

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C(CN)CNCCSP(=O)(O)O.O.O.O
• IUPAC Name: 2-(3-aminopropylamino)ethylsulfanylphosphonic acid;trihydrate
• InChIKey: TXQPXJKRNHJWAX-UHFFFAOYSA-N
• INCHI: 1S/C5H15N2O3PS.3H2O/c6-2-1-3-7-4-5-12-11(8,9)10;;;/h7H,1-6H2,(H2,8,9,10);3*1H2
• Isomeric SMILES: C(CN)CNCCSP(=O)(O)O.O.O.O
• WGK Germany: 3
• RTECS: TE6491000
• Molecular Weight: 268.27
• Reaxy-Rn: 13570647
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13570647&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds
    • Class Organothiophosphorus compounds

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Class: Organothiophosphorus compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organothiophosphorus compounds
• Alternative Parents: Sulfenyl compounds Dialkylamines Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfenyl compound - Secondary amine - Organothiophosphorus compound - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organothiophosphorus compounds. These are organic derivatives of thiophosphonic acid, thiophosphoric acid, dithiophosphoric acid, or phosphorotrithioic acid, or derivatives thereof. Thiophosphonic acid, dithiophosphoric acid, thiophosphoric acid, and phosphorotrithioic acid are thiophosphorus compounds with the formula OP(O)(=S), OP(S)(=S)O, OP(O)(=S)O, and OP(=S)(S)S, respectively.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 268.270 g/mol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 268.086 Da
• Monoisotopic Mass: 268.086 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 152.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 4

XLogP3