ChemSpider 2D Image | Afuresertib | C18H16Cl2F2N4OS

Afuresertib

  • Molecular FormulaC18H16Cl2F2N4OS
  • Average mass445.314 Da
  • Monoisotopic mass444.039001 Da
  • ChemSpider ID34980748

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Thiophenecarboxamide, N-[(1S)-2-amino-1-[(3,4-difluorophenyl)methyl]ethyl]-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)- [ACD/Index Name]
Afuresertib [INN] [USAN]
N-[(2S)-1-Amino-3-(3,4-difluorophenyl)-2-propanyl]-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-2-thiophenecarboxamide [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-(3,4-difluorophényl)-2-propanyl]-5-chloro-4-(4-chloro-1-méthyl-1H-pyrazol-5-yl)-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-(3,4-difluorphenyl)-2-propanyl]-5-chlor-4-(4-chlor-1-methyl-1H-pyrazol-5-yl)-2-thiophencarboxamid [German] [ACD/IUPAC Name]
(S)-N-(1-amino-3-(3,4-difluorophenyl)propan-2-yl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxamide
1047634-63-8 [RN]
1047634-63-8 (free base)
1047644-62-1 [RN]
3-Amino-N-(3-ethoxypropyl)propanamide hydrochloride
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Akt MedChem Express HY-15966
      GSK2110183 is an orally bioavailable, selective, ATP-competitive and potent pan-Akt inhibitor with IC50s of 0.08/2/2.6 nM for Akt1/Akt2/Akt3 respectively.; IC50 value: 0.08/2/2.6 nM(Akt1/Akt2/Akt3) [1]; Target: Akt; GSK2110183 showed concentration-dependent effect on multiple AKT substrate phosphorylation levels, including GSK3?, PRAS40, FOXO and Caspase 9 in BT474 (breast; ERBB2+, PIK3CA K111N) and LNCaP (prostate; PTEN null). MedChem Express HY-15966
      PI3K/Akt/mTOR MedChem Express HY-15966
      PI3K/Akt/mTOR; MedChem Express HY-15966

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

Density: 1.5±0.1 g/cm3
Boiling Point: 539.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 280.2±30.1 °C
Index of Refraction: 1.664
Molar Refractivity: 107.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.05
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 9.97
ACD/KOC (pH 7.4): 90.16
Polar Surface Area: 101 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 289.0±7.0 cm3

Click to predict properties on the Chemicalize site


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