ChemSpider 2D Image | PF-AKT400 | C20H22F2N6O

PF-AKT400

  • Molecular FormulaC20H22F2N6O
  • Average mass400.425 Da
  • Monoisotopic mass400.182312 Da
  • ChemSpider ID25035405

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1004990-28-6 [RN]
MFCD11846250
N-[[(3S)-3-Amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-pyrrolidinyl]methyl]-2,4-difluoro-benzamide
N-{[(3S)-3-Amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-pyrrolidinyl]methyl}-2,4-difluorbenzamid [German] [ACD/IUPAC Name]
N-{[(3S)-3-Amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-pyrrolidinyl]methyl}-2,4-difluorobenzamide [ACD/IUPAC Name]
N-{[(3S)-3-Amino-1-(5-éthyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-pyrrolidinyl]méthyl}-2,4-difluorobenzamide [French] [ACD/IUPAC Name]
N-{[(3s)-3-Amino-1-(5-Ethyl-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)pyrrolidin-3-Yl]methyl}-2,4-Difluorobenzamide
N-{[(3S)-3-amino-1-{5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}pyrrolidin-3-yl]methyl}-2,4-difluorobenzamide
PF-AKT400
(s)-n-((3-amino-1-(5-ethyl-7h-pyrrolo(2,3-d)pyrimidin-4-yl)pyrrolidin-3-yl)methyl)-2,4-difluorobenzamide
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Akt MedChem Express HY-10721
      AKT inhibitor is a broadly selective, potent, ATP-competitive Akt inhibitor, displays 900-fold greater selectivity for PKB? (IC50 = 0.5 nM) than PKA (IC50=450 nM).; IC50 value: 0.5 nM (PKB?), 450 nM (PKA) [1] [2]; Target: Akt; In vitro: AKT inhibitor binds deeply into the active pocket of PKB?, creating favorably hydrophobic interactions with more residues than that with PKA.[1] AKT inhibitor achieves 900-fold selectivity for Akt over PKA, presumably because of the increased steric demand of the ethyl core substituent being better tolerated in Akt than in PKA. MedChem Express HY-10721
      PI3K/Akt/mTOR MedChem Express HY-10721
      PI3K/Akt/mTOR; MedChem Express HY-10721

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

Density: 1.4±0.1 g/cm3
Boiling Point: 603.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 319.0±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 105.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.07
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 13.33
ACD/KOC (pH 7.4): 198.65
Polar Surface Area: 100 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 295.9±3.0 cm3

Click to predict properties on the Chemicalize site


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