WR-1065 dihydrochloride - ≥95% , CAS No.14653-77-1

CAS: 14653-77-1 Cat. No.: A134805 Molecular Weight: 207.16 EC Number: 664-315-0 PubChem CID: 146169

GRADE & PURITY ≥95%

Synonyms

Amifostine Thiol Dihydrochloride | Ethanethiol, 2-[(3-aminopropyl)amino]-, hydrochloride (1:2) | W12622 | WR-1065 dihydrochloride | AS-70801 | AKOS024457577 | UNII-LE9VV16SZW | WR 1065 dihydrochloride | Amifostine thiol, United States Pharmacopeia (USP) R

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Amifostine Thiol Dihydrochloride is a metabolite of Amifostine.
A metabolite of Amifostine

Specifications

Synonyms

Amifostine Thiol Dihydrochloride | Ethanethiol, 2-[(3-aminopropyl)amino]-, hydrochloride (1:2) | W12622 | WR-1065 dihydrochloride | AS-70801 | AKOS024457577 | UNII-LE9VV16SZW | WR 1065 dihydrochloride | Amifostine thiol, United States Pharmacopeia (USP) R

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Cell-permeable reactive oxygen species scavenger that activates p53 through a JNK-dependent signaling pathway. Activates p21waf-1and MDM2, represses transcription of Myc and thymidine kinase, and inhibits DNA topoisomerase IIα. Induces cell cycle arrest a

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504757296
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757296
• Canonical Smiles: C(CN)CNCCS.Cl.Cl
• IUPAC Name: 2-(3-aminopropylamino)ethanethiol;dihydrochloride
• InChIKey: XDRLRDHLCIFZIW-UHFFFAOYSA-N
• INCHI: 1S/C5H14N2S.2ClH/c6-2-1-3-7-4-5-8;;/h7-8H,1-6H2;2*1H
• Isomeric SMILES: C(CN)CNCCS.Cl.Cl
• WGK Germany: 3
• PubChem CID: 146169
• Molecular Weight: 207.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Secondary amines
          • Level6 Dialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Secondary amines
• Direct Parent: Dialkylamines
• Alternative Parents: Alkylthiols Organopnictogen compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary aliphatic amine - Alkylthiol - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organosulfur compound - Primary aliphatic amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen.
• 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

• Solubility: Solvent:water, Max Conc. mg/mL: 20.72, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 20.72, Max Conc. mM: 100
• Sensitivity: Moisture sensitive
• Molecular Weight: 207.160 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 206.041 Da
• Monoisotopic Mass: 206.041 Da
• Topological Polar Surface Area: 39.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 41.400
• 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: 3

XLogP3

References

1. Manman Sun, Peihao Zhang, Zeze Xie, Pengcheng Zhang, Zhendong Li, Zhiguang Yang, Hongyu Chen.  (2025)  Smart Probes for Ultrasensitive and Highly Selective Sensing of Homocysteine over Cysteine Based on Multi-Cooperative Effects by Using Gold Nanoparticles.  MOLECULES,  30  (6): (1309).  [PMID:40142083] [10.3390/molecules30061309]