ChemSpider 2D Image | 6H05 | C20H30ClN3O2S3

6H05

  • Molecular FormulaC20H30ClN3O2S3
  • Average mass476.119 Da
  • Monoisotopic mass475.118866 Da
  • ChemSpider ID34980731

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-{[(4-Chlorophenyl)sulfanyl]acetyl}-N-(2-{[2-(dimethylamino)ethyl]disulfanyl}ethyl)-4-piperidinecarboximidic acid [ACD/IUPAC Name]
1-{[(4-Chlorphenyl)sulfanyl]acetyl}-N-(2-{[2-(dimethylamino)ethyl]disulfanyl}ethyl)-4-piperidincarboximidsäure [German] [ACD/IUPAC Name]
4-Piperidinecarboximidic acid, 1-[2-[(4-chlorophenyl)thio]acetyl]-N-[2-[[2-(dimethylamino)ethyl]dithio]ethyl]- [ACD/Index Name]
6H05
Acide 1-{2-[(4-chlorophényl)sulfanyl]acétyl}-N-(2-{[2-(diméthylamino)éthyl]disulfanyl}éthyl)-4-pipéridinecarboximidique [French] [ACD/IUPAC Name]
1-?[2-?[(4-?chlorophenyl)?thio]?acetyl]?-?N-?[2-?[[2-?(dimethylamino)?ethyl]?dithio]?ethyl]?-4-?Piperidinecarboxamid?e
1-[2-(4-chlorophenyl)sulfanylacetyl]-N-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide
1-{2-[(4-chlorophenyl)sulfanyl]acetyl}-N-(2-{[2-(dimethylamino)ethyl]disulfanyl}ethyl)piperidine-4-carboxamide
1469338-01-9 [RN]
K-Ras inhibitor
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      6H05 is a selective, and allosteric inhibitor of oncogenic mutant K-Ras(G12C). MedChem Express HY-12408
      6H05 is a selective, and allosteric inhibitor of oncogenic mutant K-Ras(G12C). ;IC50 value:;Target: K-Ras G12C6H05 gives the greatest degree of modification, which allosterically modifies the oncogenic G12C mutant of highly homologous protein H-Ras without affecting wild-type K-Ras [1]. 6H05 can be used as an intermediate for the synthesis of other oncogenic K-Ras(G12C) inhibitors [2]. MedChem Express HY-12408
      GPCR/G protein MedChem Express HY-12408
      GPCR/G protein; MedChem Express HY-12408
      Ras MedChem Express HY-12408

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 635.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 338.0±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 130.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.10
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 5.67
ACD/KOC (pH 7.4): 28.13
Polar Surface Area: 132 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 369.3±7.0 cm3

Click to predict properties on the Chemicalize site


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