ChemSpider 2D Image | SAR-405838 | C29H34Cl2FN3O3

SAR-405838

  • Molecular FormulaC29H34Cl2FN3O3
  • Average mass562.503 Da
  • Monoisotopic mass561.196106 Da
  • ChemSpider ID30811498

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2'S,3R,4'S,5'R)-6-Chlor-4'-(3-chlor-2-fluorphenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamid [German] [ACD/IUPAC Name]
(2'S,3R,4'S,5'R)-6-Chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide [ACD/IUPAC Name]
(2'S,3R,4'S,5'R)-6-Chloro-4'-(3-chloro-2-fluorophényl)-2'-(2,2-diméthylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide [French] [ACD/IUPAC Name]
1303607-60-4 [RN]
SAR-405838
Spiro[3H-indole-3,3'-pyrrolidine]-5'-carboxamide, 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1,2-dihydro-N-(trans-4-hydroxycyclohexyl)-2-oxo-, (2'S,3R,4'S,5'R)- [ACD/Index Name]
(2'S,3R,4'S,5'R)-6-Chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1,2-dihydro-N-(trans-4-hydroxycyclohexyl)-2-oxospiro[3H-indole-3,3'-pyrrolidine]-5'-carboxamide
(2'S,3R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-N-((1r,4R)-4-hydroxycyclohexyl)-2'-neopentyl-2-oxospiro[indoline-3,3'-pyrrolidine]-5'-carboxamide
7HC
MDM2
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8570LZ3RCA [DBID]
UNII:8570LZ3RCA [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Apoptosis MedChem Express HY-18986
      Apoptosis; MedChem Express HY-18986
      MDM-2, p53 MedChem Express HY-18986
      SAR405838 is a highly potent and selective MDM2 inhibitor, binds to MDM2 with Ki= 0.88 nM and has high specificity over other proteins.; IC50 value: 0.88 nM (Ki) [1]; Target: MDM2; in vitro: SAR405838 potently inhibits cell growth in cancer cell lines, including SJSA-1 (IC50, 0.092 ?M), RS4;11 (IC50, 0.089 ?M), LNCaP (IC50, 0.27 ?M), and HCT-116 (IC50, 0.20 ?M) cells, and displays high selectivity over cancer cell lines with mutated or deleted p53, including SAOS-2 (IC50, >10 ?M), PC-3 (IC50, >10 ?M), SW620 (IC50, >10 ?M), and HCT-116 (p53-/-) (IC50, >20 ?M) cells.[1] SAR405838 effectively induces apoptosis in the RS4;11 cell line. MedChem Express HY-18986

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

Density: 1.4±0.1 g/cm3
Boiling Point: 732.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 396.6±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 146.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1228.51
ACD/KOC (pH 5.5): 3197.46
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 8479.87
ACD/KOC (pH 7.4): 22070.76
Polar Surface Area: 90 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 413.2±5.0 cm3

Click to predict properties on the Chemicalize site


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