Paclitaxel- CAS 33069-62-4

Paclitaxel (CAS 33069-62-4) is a compound extracted from the Pacific yew tree Taxus brevifolia with antineoplastic activity. Paclitaxel binds to tubulin and inhibits the disassembly of microtubules, thereby resulting in the inhibition of cell division. This agent also induces apoptosis by binding to and blocking the function of the apoptosis inhibitor protein Bcl-2 (B-cell Leukemia 2).

Catalog Number: A000813

CAS Number: 33069-62-4

PubChem Substance ID:355039710

Molecular Formula: C₄₇H₅₁NO₁₄

Molecular Weight:853.92

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

SynonymsTAXOL; Taxol A; 33069-62-4; Abraxane; Paxene

Property

Molecular Formula: C₄₇H₅₁NO₁₄
Molecular Weight853.92
Target:Microtubule/Tubulin
Solubility>42.7mg/mL in DMSO
Purity≥95%
Storage-20°C
MDLMFCD00869953

Computed Descriptor

IUPAC Name[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
InChIInChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24
InChIKeyRCINICONZNJXQF-MZXODVADSA-N
SMILESCC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C