Amifostine Trihydrate - ≥97% , CAS No.112901-68-5

CAS: 112901-68-5 Cat. No.: A352740 Fórmula: C₅H₁₅N₂O₃PS·3H₂O Peso molecular: 268.27 Número CE: 806-322-5

GRADE & PURITY ≥97%

Synonyms

NSC 296961 | WR-2721 TRIHYDRATE | AMIFOSTINE TRIHYDRATE [WHO-DD] | ETHYOL (TN) | M487QF2F4V | Ethyol trihydrate | s4298 | UNII-M487QF2F4V | F21492 | FS-4696 | Amifostine, United States Pharmacopeia (USP) Reference Standard | BBL011022 | S-(2-((3-Aminoprop

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Visão geral

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

Sinónimos

NSC 296961 | WR-2721 TRIHYDRATE | AMIFOSTINE TRIHYDRATE [WHO-DD] | ETHYOL (TN) | M487QF2F4V | Ethyol trihydrate | s4298 | UNII-M487QF2F4V | F21492 | FS-4696 | Amifostine, United States Pharmacopeia (USP) Reference Standard | BBL011022 | S-(2-((3-Aminoprop

Especificações e pureza

≥97%

Mecanismos bioquímicos e fisiológicos

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

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504757315

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757315

Sorrisos canónicos

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

SMILES isoméricas

C(CN)CNCCSP(=O)(O)O.O.O.O

WGK Alemanha

3

RTECS

TE6491000

Peso molecular

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
    • Classe Organothiophosphorus compounds

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 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