ChemSpider 2D Image | LCL-161 | C26H33FN4O3S

LCL-161

  • Molecular FormulaC26H33FN4O3S
  • Average mass500.629 Da
  • Monoisotopic mass500.225739 Da
  • ChemSpider ID30687709

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
1005342-46-0 [RN]
6TNS415Y3P
LCL-161
N-[(1S)-1-Cyclohexyl-2-{(2S)-2-[4-(4-fluorbenzoyl)-1,3-thiazol-2-yl]-1-pyrrolidinyl}-2-oxoethyl]-N2-methylalaninamid [German] [ACD/IUPAC Name]
N-[(1S)-1-Cyclohexyl-2-{(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]-1-pyrrolidinyl}-2-oxoethyl]-N2-methylalaninamide [ACD/IUPAC Name]
N-[(1S)-1-Cyclohexyl-2-{(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]-1-pyrrolidinyl}-2-oxoéthyl]-N2-méthylalaninamide [French] [ACD/IUPAC Name]
Propanamide, N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-2-thiazolyl]-1-pyrrolidinyl]-2-oxoethyl]-2-(methylamino)-, (2S)- [ACD/Index Name]
(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylaminopropanamide
(s)-n-((s)-1-cyclohexyl-2-((s)-2-(4-(4-fluorobenzoyl)thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl)-2-(methylamino)propanamide
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Apoptosis MedChem Express HY-15518
      Apoptosis; MedChem Express HY-15518
      IAP MedChem Express HY-15518
      LCL161 is an orally bioavailable SMAC mimetic and inhibitor of Inhibitor of Apoptosis Protein (IAP) family of proteins, with antineoplastic activity. MedChem Express
      LCL161 is an orally bioavailable SMAC mimetic and inhibitor of Inhibitor of Apoptosis Protein (IAP) family of proteins, with antineoplastic activity.; IC50 Value: ; Target: IAP; in vitro: Huh-7 cells co-treated with LCL161 and SC-2001 showed a significant dose-dependent apoptotic effect demonstrated by sub-G1 assay and cleavage of PARP. MedChem Express HY-15518

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

Density: 1.2±0.1 g/cm3
Boiling Point: 713.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 385.4±32.9 °C
Index of Refraction: 1.577
Molar Refractivity: 133.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.84
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 42.53
ACD/KOC (pH 7.4): 344.64
Polar Surface Area: 120 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 401.9±3.0 cm3

Click to predict properties on the Chemicalize site


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