ChemSpider 2D Image | AZ 6102 | C25H28N6O

AZ 6102

  • Molecular FormulaC25H28N6O
  • Average mass428.529 Da
  • Monoisotopic mass428.232452 Da
  • ChemSpider ID57251268

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1645286-75-4 [RN]
2-(4-{6-[(3R,5S)-3,5-Dimethyl-1-piperazinyl]-4-methyl-3-pyridinyl}phenyl)-7-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
2-(4-{6-[(3R,5S)-3,5-Dimethyl-1-piperazinyl]-4-methyl-3-pyridinyl}phenyl)-7-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [ACD/IUPAC Name]
2-(4-{6-[(3R,5S)-3,5-Diméthyl-1-pipérazinyl]-4-méthyl-3-pyridinyl}phényl)-7-méthyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
2-(4-{6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-7-methyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
2-(4-{6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
4H-Pyrrolo[2,3-d]pyrimidin-4-one, 2-[4-[6-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-4-methyl-3-pyridinyl]phenyl]-3,7-dihydro-7-methyl- [ACD/Index Name]
AZ 6102
[1645286-75-4] [RN]
2-(4-(6-((3R,5S)-3,5-dimethylpiperazin-1-yl)-4-methylpyridin-3-yl)phenyl)-7-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Cell Biology Tocris Bioscience 5775
      Cell Cycle/DNA Damage; MedChem Express HY-12975
      Enzymes Tocris Bioscience 5775
      PARP MedChem Express HY-12975
      Polymerases Tocris Bioscience 5775
      Potent TNKS1/2 inhibitor Tocris Bioscience 5775
      Potent TNKS2 and TNKS1 inhibitor (IC50 values are 1 and 3 nM, respectively). Exhibits >100-fold selectivity for TNKS1/2 over PARP-1, PARP-2 and PARP-6. Inhibits Wnt signaling in DLD-1 cells (IC50 = 5 nM). Exhibits moderate oral bioavailability. Tocris Bioscience 5775
      Signal Transduction Tocris Bioscience 5775
      Tankyrase Tocris Bioscience 5775
      Wnt Signaling Tocris Bioscience 5775

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.694
Molar Refractivity: 125.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 5.53
ACD/KOC (pH 7.4): 47.83
Polar Surface Area: 75 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 326.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement