ChemSpider 2D Image | VER-50589 | C19H17ClN2O5

VER-50589

  • Molecular FormulaC19H17ClN2O5
  • Average mass388.802 Da
  • Monoisotopic mass388.082611 Da
  • ChemSpider ID22376204

More details:

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

3-Isoxazolecarboxamide, 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)- [ACD/Index Name]
5-(5-Chlor-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazol-3-carboxamid [German] [ACD/IUPAC Name]
5-(5-Chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide [ACD/IUPAC Name]
5-(5-Chloro-2,4-dihydroxyphényl)-N-éthyl-4-(4-méthoxyphényl)-1,2-oxazole-3-carboxamide [French] [ACD/IUPAC Name]
5-(5-Chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)isoxazole-3-carboxamide
747413-08-7 [RN]
VER-50589
[747413-08-7] [RN]
1-Chlorocyclohexene [ACD/IUPAC Name]
2GG
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-15984
      Cell Cycle/DNA Damage; Metabolism/Protease; MedChem Express HY-15984
      HSP MedChem Express HY-15984
      VER-50589 is an isoxazole compound that inhibits Hsp90 with an IC50 value of 21 nM. MedChem Express
      VER-50589 is an isoxazole compound that inhibits Hsp90 with an IC50 value of 21 nM.; IC50 value: 21 nM; Target: Hsp90; VER-50589 produces a mean cellular antiproliferative GI50 value of 78 nM when tested against a human cancer cell line panel. MedChem Express HY-15984
      VER-50589 is an isoxazole compound that inhibits Hsp90 with an IC50 value of 21 nM.;IC50 value: 21 nM;Target: Hsp90VER-50589 produces a mean cellular antiproliferative GI50 value of 78 nM when tested against a human cancer cell line panel. Consistent with inhibition of Hsp90, VER-50589 induces the expression of HSP27 and Hsp72 while reducing the client proteins C-RAF, B-RAF, survivin, and PRMT5, causing cell cycle arrest and apoptosis. VER-50589 shows favorable pharmacokinetics and impairs tumor growth in animals. Importantly, glioblastoma cells do not acquire resistance to VER-50589 and resistance to other Hsp90 inhibitors does not produce cross-resistance to VER-50589. MedChem Express HY-15984

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

Density: 1.4±0.1 g/cm3
Boiling Point: 583.0±50.0 °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: 306.4±30.1 °C
Index of Refraction: 1.613
Molar Refractivity: 99.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 47.56
ACD/KOC (pH 5.5): 540.17
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 6.29
ACD/KOC (pH 7.4): 71.41
Polar Surface Area: 105 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 285.7±3.0 cm3

Click to predict properties on the Chemicalize site


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