ChemSpider 2D Image | Calphostin C | C44H38O14

Calphostin C

  • Molecular FormulaC44H38O14
  • Average mass790.764 Da
  • Monoisotopic mass790.226135 Da
  • ChemSpider ID19951747

More details:

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

1-[4,9-Dihydroxy-12-(2-{[(4-hydroxyphenoxy)carbonyl]oxy}propyl)-2,6,7,11-tetramethoxy-3,10-dioxo-3,10-dihydro-1-perylenyl]-2-propanyl benzoate [ACD/IUPAC Name]
1-[4,9-Dihydroxy-12-(2-{[(4-hydroxyphenoxy)carbonyl]oxy}propyl)-2,6,7,11-tetramethoxy-3,10-dioxo-3,10-dihydro-1-perylenyl]-2-propanyl-benzoat [German] [ACD/IUPAC Name]
1-[4,9-Dihydroxy-12-(2-{[(4-hydroxyphenoxy)carbonyl]oxy}propyl)-2,6,7,11-tetramethoxy-3,10-dioxo-3,10-dihydroperylen-1-yl]propan-2-yl benzoate
121263-19-2 [RN]
Benzoate de 1-[4,9-dihydroxy-12-(2-{[(4-hydroxyphénoxy)carbonyl]oxy}propyl)-2,6,7,11-tétraméthoxy-3,10-dioxo-3,10-dihydro-1-pérylényl]-2-propanyle [French] [ACD/IUPAC Name]
Calphostin C [Wiki]
Carbonic acid, 2-[12-[2-(benzoyloxy)propyl]-3,10-dihydro-4,9-dihydroxy-2,6,7,11-tetramethoxy-3,10-dioxo-1-perylenyl]-1-methylethyl 4-hydroxyphenyl ester [ACD/Index Name]
MFCD00133155
UCN-1028c
(1R)-2-[12-[(2R)-2-(Benzoyloxy)propyl]-3,10-dihydro-4,9-dihydroxy-2,6,7,11-tetramethoxy-3,10-dioxo-1-perylenyl]-1-methylethylcarbonic acid 4-hydroxyphenyl ester
More...

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

C6303_SIGMA [DBID]
I271P23G24 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Enzymes Tocris Bioscience 1626
      Kinases Tocris Bioscience 1626
      Potent, selective and photo-dependent inhibitor of protein kinase C that targets the regulatory domain (IC50 = 50 nM). Displays > 1000-fold selectivity over other protein kinases such as cAMP-dependen t protein kinase and tyrosine-specific protein kinase. Inhibits cell proliferation of malignant glioma cells in light-treated conditions in vitro (IC50 ~ 40 - 60 nM). Also an antagonist of the Tcf/?-c atenin complex. Tocris Bioscience 1626
      Potent, selective and photo-dependent inhibitor of protein kinase C that targets the regulatory domain (IC50 = 50 nM). Displays > 1000-fold selectivity over other protein kinases such as cAMP-dependent protein kinase and tyrosine-specific protein kinase. Inhibits cell proliferation of malignant glioma cells in light-treated conditions in vitro (IC50 ~ 40 - 60 nM). Also an antagonist of the Tcf/?-catenin complex. Tocris Bioscience 1626
      Potent, selective and photo-dependent inhibitor of protein kinase C that targets the regulatory domain (IC50 = 50 nM). Displays > 1000-fold selectivity over other protein kinases such as cAMP-dependent protein kinase and tyrosine-specific protein kinase. Inhibits cell proliferation of malignant glioma cells in light-treated conditions in vitro (IC50 ~ 40 - 60 nM). Also an antagonist of the Tcf/beta-catenin complex. Tocris Bioscience 1626
      Potent, selective and photo-dependent PKC inhibitor Tocris Bioscience 1626
      Protein Kinase C Tocris Bioscience 1626

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1039.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.3±3.0 kJ/mol
Flash Point: 317.0±27.8 °C
Index of Refraction: 1.705
Molar Refractivity: 206.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 9.15
ACD/LogD (pH 5.5): 8.04
ACD/BCF (pH 5.5): 757105.00
ACD/KOC (pH 5.5): 557148.81
ACD/LogD (pH 7.4): 7.43
ACD/BCF (pH 7.4): 186124.48
ACD/KOC (pH 7.4): 136967.84
Polar Surface Area: 194 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 77.7±5.0 dyne/cm
Molar Volume: 532.0±5.0 cm3

Click to predict properties on the Chemicalize site


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