ChemSpider 2D Image | XMD8-87 | C24H27N7O2

XMD8-87

  • Molecular FormulaC24H27N7O2
  • Average mass445.517 Da
  • Monoisotopic mass445.222626 Da
  • ChemSpider ID26384951

More details:

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

1234480-46-6 [RN]
2-{[2-Methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino}-11-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-on [German] [ACD/IUPAC Name]
2-{[2-Methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino}-11-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one [ACD/IUPAC Name]
2-{[2-Méthoxy-4-(4-méthyl-1-pipérazinyl)phényl]amino}-11-méthyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazépin-6-one [French] [ACD/IUPAC Name]
6H-Pyrimido[4,5-b][1,4]benzodiazepin-6-one, 5,11-dihydro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-11-methyl- [ACD/Index Name]
XMD8-87
[1234480-46-6] [RN]
1234480-46-6 (free base)
2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-11-methyl-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one
2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-11-methyl-5H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Sold under license from Dana-Farber Cancer Institute. Tocris Bioscience 6061

    • Bio Activity:

      Ack1 Tocris Bioscience 6061
      Enzymes Tocris Bioscience 6061
      Kinases Tocris Bioscience 6061
      Potent Ack1/TNK2 inhibitor Tocris Bioscience 6061
      Potent Ack1/TNK2 inhibitor (IC50 = 38 and 113 nM in Ba/F3 cell lines containing leukemia-associated D163E and R806Q mutations respectively). Blocks phosphorylation of TNK2 receptors containing solid-tumor type truncation mutations. Tocris Bioscience 6061

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: 1.648
Molar Refractivity: 126.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): -0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 20.12
ACD/KOC (pH 7.4): 207.95
Polar Surface Area: 86 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 347.2±3.0 cm3

Click to predict properties on the Chemicalize site


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