ChemSpider 2D Image | SNX-5422 | C25H30F3N5O4

SNX-5422

  • Molecular FormulaC25H30F3N5O4
  • Average mass521.532 Da
  • Monoisotopic mass521.224976 Da
  • ChemSpider ID25060921

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

908115-27-5 [RN]
BF52J69Q8T
Glycinate de trans-4-({2-carbamoyl-5-[6,6-diméthyl-4-oxo-3-(trifluorométhyl)-4,5,6,7-tétrahydro-1H-indazol-1-yl]phényl}amino)cyclohexyle [French] [ACD/IUPAC Name]
Glycine, trans-4-[[2-(aminocarbonyl)-5-[4,5,6,7-tetrahydro-6,6-dimethyl-4-oxo-3-(trifluoromethyl)-1H-indazol-1-yl]phenyl]amino]cyclohexyl ester [ACD/Index Name]
PF-04929113
SNX-5422
trans-4-({2-Carbamoyl-5-[6,6-dimethyl-4-oxo-3-(trifluormethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}amino)cyclohexylglycinat [German] [ACD/IUPAC Name]
trans-4-({2-Carbamoyl-5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}amino)cyclohexyl glycinate [ACD/IUPAC Name]
(1r,4r)-4-((2-carbamoyl-5-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)phenyl)amino)cyclohexyl 2-aminoacetate
(1r,4r)-4-((2-carbamoyl-5-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)phenyl)amino)cyclohexyl glycinate
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-10213
      Cell Cycle/DNA Damage; Metabolism/Protease; MedChem Express HY-10213
      HSP MedChem Express HY-10213
      PF-04929113 is a potent and selective Hsp90 inhibitor with an IC50 of median 50 nM.; IC50 Value: 50 nM; Target: HSP; in vitro: PF-04929113 is a small-molecule Hsp90 inhibitor based on the 6,7-dihydro-indazol-4-one scaffold. MedChem Express HY-10213
      PF-04929113 is a potent and selective Hsp90 inhibitor with an IC50 of median 50 nM.;IC50 Value: 50 nM;Target: HSP;In vitro: PF-04929113 is a small-molecule Hsp90 inhibitor based on the 6,7-dihydro-indazol-4-one scaffold. PF-04929113 developed by Serenex, converts to SNX-2122, which is the active Hsp90 inhibitor form. PF-04929113 exhibits potent effects on Her-2 stability and causes expected up-regulation of Hsp70. PF-04929113 shows potent antiproliferative activity against a broad range of cancer cell types, e.g. MCF-7 (IC50=16 nM), SW620 (IC50=19 nM), K562 (IC50=23 nM), SK-MEL-5 (IC50=25 nM), and A375 (IC50=51 nM).;In vivo: PF-04929113 inhibits human MM cell growth in vivo, and immuno-histochemical analysis shows PF-04929113 significantly inhibits p-ERK and p-Akt in treated mice. Meanwhile, PF-04929113 treatment significantly decreases the percentage of CD31+ cells and MVD, consistent with an inhibitory effect on angiogenesis in vivo. A 50 mg/kg administration of PF-04929113 deli MedChem Express HY-10213

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

Density: 1.5±0.1 g/cm3
Boiling Point: 646.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.8±31.5 °C
Index of Refraction: 1.637
Molar Refractivity: 125.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.74
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 20.94
ACD/KOC (pH 7.4): 260.80
Polar Surface Area: 142 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 350.2±7.0 cm3

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