ChemSpider 2D Image | Vinorelbine | C45H54N4O8

Vinorelbine

  • Molecular FormulaC45H54N4O8
  • Average mass778.932 Da
  • Monoisotopic mass778.394165 Da
  • ChemSpider ID4470974

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2β,3β,4β,5α,12β,19α)-4-Acétoxy-15-[(12S,14R)-16-éthyl-12-(méthoxycarbonyl)-1,10-diazatétracyclo[12.3.1.03,11.04,9]octadéca-3(11),4,6,8,15-pentaén-12-yl]-3-hydroxy-16-méthoxy-1 -méthyl-6,7-didéhydroaspidospermidine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
, methyl ester, (2β,3β,4β,5α,12R,19α)-
3',4'-Didehydro-4'-deoxy-C'-norvincaleukoblastine
5'-Noranhydrovinblastine
Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-((2R,6R,8S)-4-ethyl-1,3,6,7,8,9-hexahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino(4,3-b)indol-8-yl)-3-hydroxy-16-methoxy-1-methyl-
Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-[(6R,8S)-4-ethyl-1,3,6,7,8,9-hexahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-, m ;ethyl ester, (2β,3β,4β,5α,12β,19α)- [ACD/Index Name]
Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-[(6R,8S)-4-ethyl-1,3,6,7,8,9-hexahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2β,3β,4β,5α,12β,19α)-
KW 2307 base
methyl (2β,3β,4β,5α,12β,19α)-4-(acetyloxy)-15-[(6R,8S)-4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate
Methyl (2β,3β,4β,5α,12β,19α)-4-acetoxy-15-[(12S,14R)-16-ethyl-12-(methoxycarbonyl)-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-yl]-3-hydroxy-16-me
 thoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate [ACD/IUPAC Name]
More...

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

6054 [DBID]
KW 2307 [DBID]
9035861 [DBID]
ANX-530 [DBID]
KW-2307 [DBID]
SDP-012 [DBID]
UN1544 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A vinca alkaloid with a norvinblastine skeleton. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:480999, CHEBI:480999

    • Bio Activity:

      Cell Biology Tocris Bioscience 3401
      Cytoskeleton and Motor Proteins Tocris Bioscience 3401
      Microtubules Tocris Bioscience 3401
      Others MedChem Express HY-12053
      Selective mitotic microtubule antagonist Tocris Bioscience 3401
      Selective mitotic microtubule antagonist that exhibits > 20 fold selectivity over axonal microtubules. Inhibits proliferation of multiple human tumor cell lines (IC50 = 1.25 nM in HeLa cells) and bloc ks metaphase/anaphase transition by suppression of microtubule dynamics (IC50 = 3.8 nM). Reduces spindle length by 29% and inhibits microtubule polymerization at micromolar concentrations. Tocris Bioscience 3401
      Selective mitotic microtubule antagonist that exhibits > 20 fold selectivity over axonal microtubules. Inhibits proliferation of multiple human tumor cell lines (IC50 = 1.25 nM in HeLa cells) and blocks metaphase/anaphase transition by suppression of microtubule dynamics (IC50 = 3.8 nM). Reduces spindle length by 29% and inhibits microtubule polymerization at micromolar concentrations. Tocris Bioscience 3401
      Vinorelbine(KW-2307 base) is an anti-mitotic agent which inhibits the proliferation of Hela cells with IC50 of 1.25 nM.; IC50 value:; Target: Anti-mitotic; Vinorelbine (Navelbine) is the first 5?NOR semi-synthetic vinca alkaloid and exerts its activity through the MAPK (p38) pathway with median IC90 and IC50 of 15.5 and 2.3 ?M. MedChem Express HY-12053

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.676
Molar Refractivity: 214.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 46.40
ACD/KOC (pH 5.5): 172.31
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 1887.72
ACD/KOC (pH 7.4): 7009.55
Polar Surface Area: 134 Å2
Polarizability: 84.9±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 569.7±5.0 cm3

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