ChemSpider 2D Image | cabazitaxel | C45H57NO14

cabazitaxel

  • Molecular FormulaC45H57NO14
  • Average mass835.932 Da
  • Monoisotopic mass835.377930 Da
  • ChemSpider ID8029779

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(2α,5β,7β,10β,13α)-4-Acetoxy-1-hydroxy-13-{[(2R,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-7,10-dimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate [ACD/IUPAC Name]
(2α,5β,7β,10β,13α)-4-Acetoxy-1-hydroxy-13-{[(2R,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-7,10-dimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl-benzoat [German] [ACD/IUPAC Name]
183133-96-2 [RN]
51F690397J
Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-h ydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)- [ACD/Index Name]
Benzoate de (2α,5β,7β,10β,13α)-4-acétoxy-1-hydroxy-13-{[(2R,3S)-2-hydroxy-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-3-phénylpropanoyl]oxy}-7,10-diméthoxy-9-oxo-5,20-époxytax-11-én 
-2-yle [French] [ACD/IUPAC Name]
cabazitaxel [INN] [USAN]
cabazitaxel [French] [INN]
cabazitaxel [Spanish] [INN]
cabazitaxelum [Latin] [INN]
More...

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

8967 [DBID]
CHEBI:63584 [DBID]
XRP-6258 [DBID]
TXD 258 [DBID]
TXD258 [DBID]
XRP 6258 [DBID]
XRP6258 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      L01CD04 Wikidata Q412963

    • Chemical Class:

      A tetracyclic diterpenoid that is 10-deacetylbaccatin III having <element>O</element>-methyl groups attached at positions 7 and 10 as well as an <element>O</element>-(2<stereo>R</stereo>,3<stereo>S</s tereo>)-3-[(<ital>tert</ital>-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl group attached at position 13. Acts as a microtubule inhibitor, binds tubulin and promotes microtubule assembly and simu ltaneously inhibits disassembly. ChEBI CHEBI:63584
      A tetracyclic diterpenoid that is 10-deacetylbaccatin III having O-methyl groups attached at positions 7 and 10 as well as an O-(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl group attached at position 13. Acts as a microtubule inhibitor, binds tubulin and promotes microtubule assembly and simultaneously inhibits disassembly. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:63584, CHEBI:63584

    • Bio Activity:

      Cabazitaxel(XRP6258; RPR-116258A) is a semi-synthetic derivative of the natural taxoid 10-deacetylbaccatin III with potential antineoplastic activity. MedChem Express http://www.medchemexpress.com/incb-3284-dimesylate.html, HY-15459
      Cabazitaxel(XRP6258; RPR-116258A) is a semi-synthetic derivative of the natural taxoid 10-deacetylbaccatin III with potential antineoplastic activity. ;IC50 Value:;Target: Microtubule/TubulinCabazitaxel binds to and stabilizes tubulin, resulting in the inhibition of microtubule depolymerization and cell division, cell cycle arrest in the G2/M phase, and the inhibition of tumor cell proliferation. Unlike other taxane compounds, this agent is a poor substrate for the membrane-associated, multidrug resistance (MDR), P-glycoprotein (P-gp) efflux pump and may be useful for treating multidrug-resistant tumors. In addition, cabazitaxel penetrates the blood-brain barrier (BBB). MedChem Express HY-15459
      Cell Cycle/DNA Damage MedChem Express HY-15459
      Cell Cycle/DNA Damage; MedChem Express HY-15459
      Microtubule/Tubulin MedChem Express HY-15459

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

Density: 1.3±0.1 g/cm3
Boiling Point: 870.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.6±3.0 kJ/mol
Flash Point: 480.4±34.3 °C
Index of Refraction: 1.592
Molar Refractivity: 214.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 7.55
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 6492.05
ACD/KOC (pH 5.5): 18642.06
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6490.40
ACD/KOC (pH 7.4): 18637.32
Polar Surface Area: 202 Å2
Polarizability: 85.2±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 635.1±5.0 cm3

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