ChemSpider 2D Image | PKI-402 | C29H34N10O3


  • Molecular FormulaC29H34N10O3
  • Average mass570.646 Da
  • Monoisotopic mass570.281555 Da
  • ChemSpider ID24643298

More details:

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

1-{4-[3-Ethyl-7-(4-morpholinyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]phenyl}-3-{4-[(4-methyl-1-piperazinyl)carbonyl]phenyl}harnstoff [German] [ACD/IUPAC Name]
1-{4-[3-Ethyl-7-(4-morpholinyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]phenyl}-3-{4-[(4-methyl-1-piperazinyl)carbonyl]phenyl}urea [ACD/IUPAC Name]
1-{4-[3-Éthyl-7-(4-morpholinyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]phényl}-3-{4-[(4-méthyl-1-pipérazinyl)carbonyl]phényl}urée [French] [ACD/IUPAC Name]
1173204-81-3 [RN]
Urea, N-[4-[3-ethyl-7-(4-morpholinyl)-3H-1,2,3-triazolo[4,5-d]pyrimidin-5-yl]phenyl]-N'-[4-[(4-methyl-1-piperazinyl)carbonyl]phenyl]- [ACD/Index Name]
[1173204-81-3] [RN]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      mTOR MedChem Express HY-10683
      mTOR PI3K MedChem Express HY-10683
      PI3K/Akt/mTOR MedChem Express HY-10683
      PI3K/Akt/mTOR ; MedChem Express HY-10683
      PKI-402 is a potent dual pan-PI3K/mTOR inhibitor targeting PI3K?/?/?/? and mTOR with IC50 of 2 nM/7 nM/16 nM/14 nM and 3 nM, respectively; also potent to PI3K? mutants E545K and H1047R.; IC50 value: 2 nM/7 nM/16 nM/14 nM(PI3K?/?/?/?); 3 nM (mTOR) [1]; Target: pan-PI3K/mTOR; in vitro: PKI-402 inhibits E545K and H1047R PI3K? mutants with IC50 of 3 nM. MedChem Express HY-10683

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: 1.723
Molar Refractivity: 157.8±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.25
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.78
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.08
ACD/KOC (pH 7.4): 171.52
Polar Surface Area: 134 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 61.7±7.0 dyne/cm
Molar Volume: 398.2±7.0 cm3

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