ChemSpider 2D Image | Ganetespib | C20H20N4O3

Ganetespib

  • Molecular FormulaC20H20N4O3
  • Average mass364.398 Da
  • Monoisotopic mass364.153534 Da
  • ChemSpider ID28189074

More details:

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

2E8412Y946
3-[2,4-Dihydroxy-5-(propan-2-yl)phenyl]-4-(1-methyl-1H-indol-5-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
3H-1,2,4-Triazol-3-one, 5-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-2,4-dihydro-4-(1-methyl-1H-indol-5-yl)- [ACD/Index Name]
5-(2,4-Dihydroxy-5-isopropylphenyl)-4-(1-methyl-1H-indol-5-yl)-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
5-(2,4-Dihydroxy-5-isopropylphenyl)-4-(1-methyl-1H-indol-5-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
5-(2,4-Dihydroxy-5-isopropylphényl)-4-(1-méthyl-1H-indol-5-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]
5-(2,4-dihydroxy-5-isopropylphenyl)-4-(1-methylindol-5-yl)-2H-1,2,4-triazol-3-one
888216-25-9 [RN]
Ganetespib [INN] [USAN]
Ganetespib [Spanish] [INN]
More...

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

9424 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-15205
      Cell Cycle/DNA Damage; Metabolism/Protease; MedChem Express HY-15205
      Ganetespib(STA-9090) is a unique triazolone-containing Hsp90 inhibitor with an IC50 of 4 nM in OSA 8 cells. MedChem Express http://www.medchemexpress.com/CEP-32496.html, HY-15205
      Ganetespib(STA-9090) is a unique triazolone-containing Hsp90 inhibitor with an IC50 of 4 nM in OSA 8 cells. ;IC50 Value: 4 nM;Target: HSPGanetespib (STA-9090) is a synthetic small-molecule inhibitor of heat shock protein 90 (Hsp90) with potential antineoplastic activity. Hsp90 inhibitor Ganetespib binds to and inhibits Hsp90, resulting in the proteasomal degradation of oncogenic client proteins, the inhibition of cell proliferation and the elevation of heat shock protein 72 (Hsp72); it may inhibit the activity of multiple kinases, such as c-Kit, EGFR, and Bcr-Abl, which as client proteins depend on functional HsP90 for maintenance. Hsp90, a 90 kDa molecular chaperone upregulated in a variety of tumor cells, plays a key role in the conformational maturation, stability and function of client proteins within the cell, many of which are involved in signal transduction, cell cycle regulation and apoptosis, including kinases, transcription factors and hormone receptors. Hsp72 exhibit MedChem Express HY-15205
      HSP MedChem Express HY-15205

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

Density: 1.4±0.1 g/cm3
Boiling Point: 685.8±57.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 368.5±32.1 °C
Index of Refraction: 1.698
Molar Refractivity: 100.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 179.72
ACD/KOC (pH 5.5): 1332.34
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 15.88
ACD/KOC (pH 7.4): 117.72
Polar Surface Area: 96 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 260.6±7.0 cm3

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