ChemSpider 2D Image | KU 0060648 | C33H34N4O4S

KU 0060648

  • Molecular FormulaC33H34N4O4S
  • Average mass582.713 Da
  • Monoisotopic mass582.230103 Da
  • ChemSpider ID10138130

More details:






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

1-Piperazineacetamide, 4-ethyl-N-[4-[2-(4-morpholinyl)-4-oxo-4H-1-benzopyran-8-yl]dibenzo[b,d]thien-1-yl]- [ACD/Index Name]
2-(4-Ethyl-1-piperazinyl)-N-{4-[2-(4-morpholinyl)-4-oxo-4H-chromen-8-yl]dibenzo[b,d]thiophen-1-yl}acetamid [German] [ACD/IUPAC Name]
2-(4-Ethyl-1-piperazinyl)-N-{4-[2-(4-morpholinyl)-4-oxo-4H-chromen-8-yl]dibenzo[b,d]thiophen-1-yl}acetamide [ACD/IUPAC Name]
2-(4-Éthyl-1-pipérazinyl)-N-{4-[2-(4-morpholinyl)-4-oxo-4H-chromén-8-yl]dibenzo[b,d]thiophén-1-yl}acétamide [French] [ACD/IUPAC Name]
4-ethyl-N-[4-[2-(4-morpholinyl)-4-oxo-4H-1-benzopyran-8-yl]-1-dibenzothienyl]-1-piperazineacetamide
881375-00-4 [RN]
KU 0060648
KU-0060648
MFCD17214218
[881375-00-4]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

      5 Axon Medchem 2604
      H303;H313;H317;H333;H334;H335;H383 Axon Medchem 2604
      no pictogram Axon Medchem 2604
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P350 Axon Medchem 2604
      Sold under license from Cancer Research Technology Ltd. Tocris Bioscience 4840
      Warning Axon Medchem 2604
    • Bio Activity:

      DNA-dependent Protein Kinase Tocris Bioscience 4840
      Dual DNA-PK and PI 3-K inhibitor Tocris Bioscience 4840
      Dual PI 3-K and DNA-PK inhibitor (IC50 values are <0.1, 0.5, 4 and 19 nM for PI 3-K?, PI 3-K?, PI 3-K? and DNA-PK respectively). Inhibits proliferation of MCF7 cells in vitro and delays growth of MCF7 xenografts in mice. Also enhances CRISPR-Cas9-mediated homology-directed repair (HDR) efficiency ~2 to 4-fold, and decreases nonhomologous end-joining (NHEJ) frequency ~40%; maximum effect seen at 250 nM. Tocris Bioscience 4840
      Dual PI 3-K and DNA-PK inhibitor (IC50 values are <0.1, 0.5, 4 and 19 nM for PI 3-K?, PI 3-K?, PI 3-K? and DNA-PK respectively). Inhibits proliferation of MCF7 cells in vitro and delays growth of MCF7 xenografts in mice. Also enhances CRISPR-Cas9-mediated homology-directed repair (HDR) efficiency, and attenuates nonhomologous end-joining (NHEJ). Tocris Bioscience 4840
      Dual PI 3-K and DNA-PK inhibitor (IC50 values are <0.1, 0.5, 4 and 19 nM for PI 3-K?, PI 3-K?, PI 3-K? and DNA-PK respectively). Inhibits proliferation of MCF7 cells in vitro and delays growth of MCF7 xenografts in mice. Also enhances CRISP-Cas9-mediated homology-directed repair (HDR) efficiency, and attenuates nonhomologous end-joining (NHEJ). Tocris Bioscience 4840
      Dual PI 3-K and DNA-PK inhibitor (IC50 values are <0.1, 0.5, 4 and 19 nM for PI 3-Kdelta, PI 3-Kbeta, PI 3-Kalpha and DNA-PK respectively). Inhibits proliferation of MCF7 cells in vitro and delays growth of MCF7 xenografts in mice. Also enhances CRISPR-Cas9-mediated homology-directed repair (HDR) efficiency ~2 to 4-fold, and decreases nonhomologous end-joining (NHEJ) frequency ~40%; maximum effect seen at 250 nM. Tocris Bioscience 4840
      Enzymes Tocris Bioscience 4840
      Kinases Tocris Bioscience 4840

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 819.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.2±3.0 kJ/mol
Flash Point: 449.7±34.3 °C
Index of Refraction: 1.694
Molar Refractivity: 167.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 17.56
ACD/KOC (pH 5.5): 72.93
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 749.07
ACD/KOC (pH 7.4): 3111.73
Polar Surface Area: 103 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 435.6±3.0 cm3

Click to predict properties on the Chemicalize site






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