ChemSpider 2D Image | Geldanamycin | C29H40N2O9

Geldanamycin

  • Molecular FormulaC29H40N2O9
  • Average mass560.636 Da
  • Monoisotopic mass560.273376 Da
  • ChemSpider ID24605918

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(4E,6E,8S,9S,10E,12S,13R,14S,16R)-13-Hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate [ACD/IUPAC Name]
(4E,6E,8S,9S,10E,12S,13R,14S,16R)-13-Hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-ylcarbamat [German] [ACD/IUPAC Name]
2-Azabicyclo[16.3.1]docosa-4,6,10,18,21-pentaene-3,20,22-trione, 9-[(aminocarbonyl)oxy]-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-, (4E,6E,8S,9S,10E,12S,13R,14S,16R)- [ACD/Index Name]
30562-34-6 [RN]
Carbamate de (4E,6E,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,19-triméthoxy-4,10,12,16-tétraméthyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaén-9-yle [French] [ACD/IUPAC Name]
Geldanamycin [Wiki]
[(4E,6E,8S,9S,10E,12S,13R,14S,16R)-13-Hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate
[30562-34-6] [RN]
13R-hydroxy-8S,14S,19-trimethoxy-4,10,12S,16R-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4E,6E,10E,18-pentaen-9S-yl, carbamate
LX8920000
  • References
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio HB3311
      Cell process/Stem cells/Stem cell signaling Hello Bio HB3311
      Cell signaling/Antibiotics/ Antivirals / antibacterials / immunomodulators Hello Bio HB3311
      Cell signaling/Heatshock proteins/HSP90 Hello Bio HB3311
      Heat Shock Proteins Tocris Bioscience 1368
      Hsp90 Tocris Bioscience 1368
      Selective Hsp90 inhibitor Tocris Bioscience 1368
      Selective Hsp90 inhibitor. Also a pp60src tyrosine kinase inhibitor and potent nuclear hormone receptor family inhibitor. Inhibits c-myc gene expression and inhibits abl, erbB, fps, src and yes transforming activity. Destabilizes several onco- and proto-oncogene products. Inhibits breast cancer stem cells. Shows potent antitumor activity. Hello Bio HB3311
      Selective Hsp90 inhibitor. Breast cancer stem cell inhibitor. Hello Bio HB3311
      Selectively inhibits heat shock protein 90 (Hsp90). Binds to the ATP site of Hsp90 (Kd = 1.2 muM) and inhibits its chaperone activity. Consequently inhibits activities of oncogenic kinases (e.g. src, Raf), p53 and steroid receptors. Demonstrates antiproliferative effect on breast cancer stem-like cells. Tocris Bioscience 1368
      Signal Transduction Tocris Bioscience 1368

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

Density: 1.2±0.1 g/cm3
Boiling Point: 783.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.0±6.0 kJ/mol
Flash Point: 427.9±32.9 °C
Index of Refraction: 1.559
Molar Refractivity: 146.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 35.83
ACD/KOC (pH 5.5): 450.81
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 32.81
ACD/KOC (pH 7.4): 412.88
Polar Surface Area: 163 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 454.5±5.0 cm3

Click to predict properties on the Chemicalize site


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