ChemSpider 2D Image | PF-477736 | C22H25N7O2

PF-477736

  • Molecular FormulaC22H25N7O2
  • Average mass419.480 Da
  • Monoisotopic mass419.206970 Da
  • ChemSpider ID21437055

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Amino-2-cyclohexyl-N-[2-(1-methyl-1H-pyrazol-4-yl)-6-oxo-5,6-dihydro-1H-[1,2]diazepino[4,5,6-cd]indol-8-yl]acetamid [German] [ACD/IUPAC Name]
(2R)-2-Amino-2-cyclohexyl-N-[2-(1-methyl-1H-pyrazol-4-yl)-6-oxo-5,6-dihydro-1H-[1,2]diazepino[4,5,6-cd]indol-8-yl]acetamide [ACD/IUPAC Name]
(2R)-2-Amino-2-cyclohexyl-N-[2-(1-methyl-1H-pyrazol-4-yl)-6-oxo-5,6-dihydro-1H-[1,2]diazepino[4,5,6-cd]indol-8-yl]-acetamide
(2R)-2-Amino-2-cyclohexyl-N-[2-(1-méthyl-1H-pyrazol-4-yl)-6-oxo-5,6-dihydro-1H-[1,2]diazépino[4,5,6-cd]indol-8-yl]acétamide [French] [ACD/IUPAC Name]
952021-60-2 [RN]
Cyclohexaneacetamide, α-amino-N-[5,6-dihydro-2-(1-methyl-1H-pyrazol-4-yl)-6-oxo-1H-[1,2]diazepino[4,5,6-cd]indol-8-yl]-, (αR)- [ACD/Index Name]
MFCD16038847
PF 00477736
pf-00477736
PF-477736
More...

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

XO23PGZ0SM [DBID]
UNII:XO23PGZ0SM [DBID]
UNII-XO23PGZ0SM [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Sold for research purposes under agreement from Pfizer Inc. Tocris Bioscience 4277

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-10032
      Cell Cycle/DNA Damage; MedChem Express HY-10032
      Checkpoint Kinase (Chk) MedChem Express HY-10032
      Checkpoint Kinases Tocris Bioscience 4277
      Enzymes Tocris Bioscience 4277
      Kinases Tocris Bioscience 4277
      PF-477736 is a selective, potent and ATP-competitive Chk1 inhibitor with Ki of 0.49 nM and also inhibits VEGFR2, Aurora-A, FGFR3, Flt3, Fms (CSF1R), Ret and Yes; shows ~100-fold selectivity for Chk1 than Chk2.; IC50 value: 0.49 nM (Ki) [1]; Target: Chk1; in vitro: PF-477736 (128 nM) abrogates the camptothecin-induced DNA damage checkpoint in a dose-dependent manner in CA46 and HeLa cells. MedChem Express HY-10032
      Selective checkpoint kinase 1 (Chk1) inhibitor (Ki values are 0.49 and 47 nM for Chk1 and Chk2 respectively). Abrogates cell cycle arrest at S and G2-M checkpoints; sensitizes cells to DNA damage. Enh ances docetaxel (Cat. No. 4056) efficacy in tumor cells and xenografts. Tocris Bioscience 4277
      Selective checkpoint kinase 1 (Chk1) inhibitor (Ki values are 0.49 and 47 nM for Chk1 and Chk2 respectively). Abrogates cell cycle arrest at S and G2-M checkpoints; sensitizes cells to DNA damage. Enhances docetaxel (Cat. No. 4056) efficacy in tumor cells and xenografts. Tocris Bioscience 4277
      Selective Chk1 inhibitor Tocris Bioscience 4277

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.790
Molar Refractivity: 113.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.95
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.03
ACD/KOC (pH 7.4): 24.79
Polar Surface Area: 130 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 68.7±7.0 dyne/cm
Molar Volume: 268.7±7.0 cm3

Click to predict properties on the Chemicalize site


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