ChemSpider 2D Image | Uprosertib | C18H16Cl2F2N4O2

Uprosertib

  • Molecular FormulaC18H16Cl2F2N4O2
  • Average mass429.248 Da
  • Monoisotopic mass428.061829 Da
  • ChemSpider ID32701836

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1047634-65-0 [RN]
2-Furancarboxamide, N-[(1S)-2-amino-1-[(3,4-difluorophenyl)methyl]ethyl]-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)- [ACD/Index Name]
GSK 2141795
GSK2141795C
N-[(1S)-1-(aminomethyl)-2-(3,4-difluorophenyl)ethyl]-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)furan-2-carboxamide
N-[(2S)-1-Amino-3-(3,4-difluorophenyl)-2-propanyl]-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-2-furamide [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-furamide [French] [ACD/IUPAC Name]
N-[(2S)-1-amino-3-(3,4-difluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)furan-2-carboxamide
N-[(2S)-1-Amino-3-(3,4-difluorphenyl)-2-propanyl]-5-chlor-4-(4-chlor-1-methyl-1H-pyrazol-5-yl)-2-furamid [German] [ACD/IUPAC Name]
Uprosertib [INN] [USAN]
More...

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

9942 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Akt MedChem Express HY-15965
      GSK2141795 is a potent and selective pan-Akt inhibitor with MedChem Express
      GSK2141795 is a potent and selective pan-Akt inhibitor with; IC50 values of 180 nM for Akt1, 328 nM for Akt2, and 38 nM; for Akt3 respectively (Clinical phase 1).; IC50 value: 180/328/38 nM (Akt1/2/3); Target: pan-Akt inhibitor; KD values of 16 nM for Akt1, 49 nM for Akt2, and 5 nM for; Akt3 (for GSK2141795), which are in line with literature data; from biochemical assays that report potencies of 2 nM for Akt1,; 2-13 nM for Akt2, and 3-9 nM Akt3 for GSK690693. MedChem Express HY-15965
      GSK2141795 is a potent and selective pan-Akt inhibitor with;IC50 values of 180 nM for Akt1, 328 nM for Akt2, and 38 nMfor Akt3 respectively (Clinical phase 1).;IC50 value: 180/328/38 nM (Akt1/2/3);Target: pan-Akt inhibitorKD values of 16 nM for Akt1, 49 nM for Akt2, and 5 nM forAkt3 (for GSK2141795), which are in line with literature datafrom biochemical assays that report potencies of 2 nM for Akt1,2-13 nM for Akt2, and 3-9 nM Akt3 for GSK690693. MedChem Express HY-15965
      PI3K/Akt/mTOR MedChem Express HY-15965
      PI3K/Akt/mTOR; MedChem Express HY-15965

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

Density: 1.5±0.1 g/cm3
Boiling Point: 543.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 282.2±30.1 °C
Index of Refraction: 1.637
Molar Refractivity: 100.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.60
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 7.02
ACD/KOC (pH 7.4): 69.34
Polar Surface Area: 86 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 281.0±7.0 cm3

Click to predict properties on the Chemicalize site


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