ChemSpider 2D Image | capivasertib | C21H25ClN6O2

capivasertib

  • Molecular FormulaC21H25ClN6O2
  • Average mass428.915 Da
  • Monoisotopic mass428.172760 Da
  • ChemSpider ID28189073
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

10668
1143532-39-1 [RN]
4-Amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinecarboxamide [ACD/IUPAC Name]
4-Amino-N-[(1S)-1-(4-chlorophényl)-3-hydroxypropyl]-1-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Amino-N-[(1S)-1-(4-chlorphenyl)-3-hydroxypropyl]-1-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidincarboxamid [German] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)- [ACD/Index Name]
AZD-5363
capivasertib [INN]
capivasertib [Spanish] [INN]
capivasertib [French] [INN]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Akt MedChem Express HY-15431
      AZD5363, a novel pyrrolopyrimidine-derived compound, inhibits all AKT isoforms (IC50 <10 nM).; IC50 Value: <10 nM(Akt1/2/3); Target: pan-Akt; AZD5363 has potential to treat a range of solid and hematologic tumors as monotherapy or a combinatorial agent, and has potential for personalized medicine based on the genetic status of PIK3CA, PTEN, and RAS.; in vitro: AZD5363, a novel pyrrolopyrimidine-derived compound, inhibited all AKT isoforms with a potency of 10 nmol/L or less and inhibited phosphorylation of AKT substrates in cells with a potency of approximately 0.3 to 0.8 ?mol/L. MedChem Express HY-15431
      PI3K/Akt/mTOR MedChem Express HY-15431
      PI3K/Akt/mTOR; MedChem Express HY-15431

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.670
Molar Refractivity: 116.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.04
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.55
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.27
ACD/KOC (pH 7.4): 89.56
Polar Surface Area: 120 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 71.7±3.0 dyne/cm
Molar Volume: 310.6±3.0 cm3

Click to predict properties on the Chemicalize site






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