ChemSpider 2D Image | RG-7112 | C38H48Cl2N4O4S

RG-7112

  • Molecular FormulaC38H48Cl2N4O4S
  • Average mass727.783 Da
  • Monoisotopic mass726.277344 Da
  • ChemSpider ID28189760
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

{(4S,5R)-4,5-Bis(4-chlorophenyl)-2-[2-ethoxy-4-(2-methyl-2-propanyl)phenyl]-4,5-dimethyl-4,5-dihydro-1H-imidazol-1-yl}{4-[3-(methylsulfonyl)propyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
{(4S,5R)-4,5-Bis(4-chlorophényl)-2-[2-éthoxy-4-(2-méthyl-2-propanyl)phényl]-4,5-diméthyl-4,5-dihydro-1H-imidazol-1-yl}{4-[3-(méthylsulfonyl)propyl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
{(4S,5R)-4,5-Bis(4-chlorphenyl)-2-[2-ethoxy-4-(2-methyl-2-propanyl)phenyl]-4,5-dimethyl-4,5-dihydro-1H-imidazol-1-yl}{4-[3-(methylsulfonyl)propyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
939981-39-2 [RN]
Methanone, [(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-4,5-dimethyl-1H-imidazol-1-yl][4-[3-(methylsulfonyl)propyl]-1-piperazinyl]- [ACD/Index Name]
RG-7112
RO-5045337
((4S,5R)-2-(4-(tert-butyl)-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazol-1-yl)(4-(3-(methylsulfonyl)propyl)piperazin-1-yl)methanone
[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-(3-methylsulfonylpropyl)piperazin-1-yl]methanone
[(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-4,5-dimethyl-1H-imidazol-1-yl][4-[3-(methylsulfonyl)propyl]-1-piperazinyl]-methanone
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Q8MI0X869M [DBID]
UNII:Q8MI0X869M [DBID]
UNII-Q8MI0X869M [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Apoptosis MedChem Express HY-10959
      Apoptosis; MedChem Express HY-10959
      MDM-2, p53 MedChem Express HY-10959
      RG7112 is the first clinical small-molecule MDM2 inhibitor designed to occupy the p53-binding pocket of MDM2. MedChem Express
      RG7112 is the first clinical small-molecule MDM2 inhibitor designed to occupy the p53-binding pocket of MDM2.; IC50 Value: ; Target: MDM2/p53; Restoration of p53 activity by inhibiting the p53-MDM2 interaction may represent a novel approach to cancer treatment. MedChem Express HY-10959
      RG7112 is the first clinical small-molecule MDM2 inhibitor designed to occupy the p53-binding pocket of MDM2.;IC50 Value: ;Target: MDM2/p53Restoration of p53 activity by inhibiting the p53-MDM2 interaction may represent a novel approach to cancer treatment. RG7112 is the first clinical small-molecule MDM2 inhibitor designed to occupy the p53-binding pocket of MDM2. In cancer cells expressing wild-type p53, RG7112 stabilizes p53 and activates the p53 pathway, leading to cell cycle arrest, apoptosis, and inhibition or regression of human tumor xenografts. MedChem Express HY-10959

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 790.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 431.8±35.7 °C
Index of Refraction: 1.598
Molar Refractivity: 201.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 4762.67
ACD/KOC (pH 5.5): 7475.04
ACD/LogD (pH 7.4): 6.48
ACD/BCF (pH 7.4): 48492.40
ACD/KOC (pH 7.4): 76109.23
Polar Surface Area: 91 Å2
Polarizability: 79.8±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 590.0±7.0 cm3

Click to predict properties on the Chemicalize site






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