ChemSpider 2D Image | A-770041 | C34H39N9O3

A-770041

  • Molecular FormulaC34H39N9O3
  • Average mass621.732 Da
  • Monoisotopic mass621.317566 Da
  • ChemSpider ID16787405

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

869748-10-7 [RN]
A-770041
KIN001-111
N-(4-{1-[trans-4-(4-Acetyl-1-piperazinyl)cyclohexyl]-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indol-2-carboxamid [German] [ACD/IUPAC Name]
N-(4-{1-[trans-4-(4-Acetyl-1-piperazinyl)cyclohexyl]-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide [ACD/IUPAC Name]
N-(4-{1-[trans-4-(4-Acétyl-1-pipérazinyl)cyclohexyl]-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-méthoxyphényl)-1-méthyl-1H-indole-2-carboxamide [French] [ACD/IUPAC Name]
U9855G2ZPR
1H-Indole-2-carboxamide, N-[4-[1-[trans-4-(4-acetyl-1-piperazinyl)cyclohexyl]-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methyl- [ACD/Index Name]
A 770041
A770041
More...

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

PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      A-770041 is selective and orally active Src-family Lck inhibitor; A-770041 is a 147 nM inhibitor of Lck (1 mM ATP) and is 300-fold selective against Fyn, the other Src family kinase involved in T-cell signaling.; IC50 value: 147 nM; Target: Lck MedChem Express HY-11011
      A-770041 is selective and orally active Src-family Lck inhibitor; A-770041 is a 147 nM inhibitor of Lck (1 mM ATP) and is 300-fold selective against Fyn, the other Src family kinase involved in T-cell signaling.;IC50 value: 147 nM;Target: Lck MedChem Express HY-11011
      A-770041 is selective and orally active Src-family Lck inhibitor; A-770041 is a 147 nM inhibitor of Lck (1 mM ATP) and is 300-fold selective against Fyn, the other Src family kinase involved in T-cell signaling. MedChem Express
      Protein Tyrosine Kinase/RTK MedChem Express HY-11011
      Protein Tyrosine Kinase/RTK; MedChem Express HY-11011
      Src MedChem Express HY-11011

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

Density: 1.4±0.1 g/cm3
Boiling Point: 812.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.1±3.0 kJ/mol
Flash Point: 445.2±34.3 °C
Index of Refraction: 1.729
Molar Refractivity: 173.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 11.78
ACD/KOC (pH 5.5): 114.80
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 81.83
ACD/KOC (pH 7.4): 797.14
Polar Surface Area: 136 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 60.0±7.0 dyne/cm
Molar Volume: 436.3±7.0 cm3

Click to predict properties on the Chemicalize site


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