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Search term: NASYEGAVCTZSDO-SSDOTTSWSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-{[1-(3-Chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamide | C14H12ClN5O2S

2-{[1-(3-Chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamide

  • Molecular FormulaC14H12ClN5O2S
  • Average mass349.795 Da
  • Monoisotopic mass349.040009 Da
  • ChemSpider ID21946776

More details:

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

2-{[1-(3-Chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamide [ACD/IUPAC Name]
2-{[1-(3-Chlorophényl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamide [French] [ACD/IUPAC Name]
2-{[1-(3-Chlorphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamid [German] [ACD/IUPAC Name]
Propanamide, 2-[[1-(3-chlorophenyl)-4,5-dihydro-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]- [ACD/Index Name]
[1030203-81-6] [RN]
1030203-81-6 [RN]
2-((1-(3-Chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)propanamide
2-[[1-(3-chlorophenyl)-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]propanamide
2-{[1-(3-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamide
2-{[1-(3-chlorophenyl)-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamide
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      ATP-competitive inhibitor of DAPK (IC50 = 200 nM) and ZIPK (Kd = 280 nM). Also inhibits PIM3 kinase (IC50 = 200 nM) but exhibits no significant effect on Src or Abl kinases. Reduces phosphorylation of regulatory myosin light chain and myosin light chain phosphatase in mouse aortic and rabbit ileal tissues. Tocris Bioscience 5768
      ATP-competitive inhibitor of DAPK and ZIPK Tocris Bioscience 5768
      DAPK Tocris Bioscience 5768
      Enzymes Tocris Bioscience 5768
      Kinases Tocris Bioscience 5768

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.775
Molar Refractivity: 88.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 5.11
ACD/KOC (pH 5.5): 109.49
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.23
Polar Surface Area: 128 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 70.4±7.0 dyne/cm
Molar Volume: 211.7±7.0 cm3

Click to predict properties on the Chemicalize site


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