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ChemSpider 2D Image | prexasertib | C18H19N7O2

prexasertib

  • Molecular FormulaC18H19N7O2
  • Average mass365.389 Da
  • Monoisotopic mass365.160034 Da
  • ChemSpider ID32738771

More details:






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

1234015-52-1 [RN]
2-Pyrazinecarbonitrile, 5-[[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]amino]- [ACD/Index Name]
5-({5-[2-(3-Aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl}amino)-2-pyrazincarbonitril [German] [ACD/IUPAC Name]
5-({5-[2-(3-Aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl}amino)-2-pyrazinecarbonitrile [ACD/IUPAC Name]
5-({5-[2-(3-Aminopropoxy)-6-méthoxyphényl]-1H-pyrazol-3-yl}amino)-2-pyrazinecarbonitrile [French] [ACD/IUPAC Name]
prexasertib [French] [INN]
prexasertib [Spanish] [INN]
prexasertibum [Latin] [INN]
прексасертиб [Russian] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LY2606368 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Cell Cycle/DNA Damage; MedChem Express HY-18174
      Checkpoint Kinase (Chk) MedChem Express HY-18174
      LY2606368 is a potent and selective ATP competitive inhibitor(IC50=1.5 nM in SW1990 cell) of the Chk1 protein kinase. MedChem Express
      LY2606368 is a potent and selective ATP competitive inhibitor(IC50=1.5 nM in SW1990 cell) of the Chk1 protein kinase.;IC50 value: 1.5 nM (SW1990 cell line) [1];Target: Chk1LY2606368 alone significantly inhibited the cell proliferation in a variety of pancreatic cell lines (SW1990, SU86.86, Bx-PC3, AsPC-1, CFPAC-1, Capan-2, HPAF-II) with SW1990 being the most sensitive (IC50=1.5 nM).LY2606368 has been reported to inhibit Chk1 auto-phosphorylation activated by DNA damaging agents, and induce phosphorylation of H2AX, a DNA damage maker in multiple cancer cell lines in vitro. In addition, LY2606368 has demonstrated potent single agent activity and potentiates the anti-tumor activity of DNA damaging agents in vivo. Pancreatic cancer is one of the least curable cancers, with an approximate 5% overall 5-year survival for all patients. In SW1990 pancreas orthotopic model, which represents the local and metastatic growth pattern seen in pancreas cancer patients, LY2606368 treatment resul MedChem Express HY-18174

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

Density: 1.4±0.1 g/cm3
Boiling Point: 608.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 321.8±31.5 °C
Index of Refraction: 1.655
Molar Refractivity: 97.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): -1.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.18
Polar Surface Area: 135 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 83.0±5.0 dyne/cm
Molar Volume: 265.2±5.0 cm3

Click to predict properties on the Chemicalize site






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