Docetaxel

• CAS: 114977-28-5
• Catalog Number: ACM114977285-1
• Category: Inhibitors
• Molecular Weight: 807.88
• Molecular Formula: C₄₃H₅₃NO₁₄
• Description: Docetaxel (RP-56976) is a microtubule depolymerization inhibitor, with an IC50 of 0.2 μM. Docetaxel attenuates the effects of bcl-2 and bcl-xL gene expression. Docetaxel arrests the cell cycle at G2/M and leads to cell apoptosis. Docetaxel has anti-cancer activity.
• Synonyms: TAXOTERE;n-debenzoyl-n-tert-butoxycarbonyl-10-deacetyl taxol;)benz(1,2-b)oxet-9-ylester,(2ar-(2a-alpha,4-beta,4a-beta,6-beta,9-alpha(alph;-,12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydr;benzenepropanoicacid,beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-hydroxy;beta-s*),11-alpha,12-alpha,12a-alpha,12b-alpha))-a-r;o-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1h-cyclodeca(3,4;rp56976
• Canonical SMILES: O=C(OC(C)(C)C)N[C@@H](C1=CC=CC=C1)[C@H](C(O[C@@H]2C(C)=C([C@@H](O)C([C@@]3(C)[C@]([C@@](CO4)(OC(C)=O)[C@@]4([H])C[C@@H]3O)([H])[C@@H]5OC(C6=CC=CC=C6)=O)=O)C(C)(C)[C@@]5(O)C2)=O)O
• Melting Point: 186-192°C (dec.)
• Appearance: Solid
• Storage: 4°C, protect from light*In solvent : -80°C, 6 months; -20°C, 1 month (protect from light).
• Hazard Statements: Xi
• Safety Description: 26-36/37
• Shipping: Can be shipped at room temperature, where not in use may vary.
• Supplemental Hazard Statements: H361
• Symbol: GHS08

Custom Q&A

What is the molecular formula of Docetaxel?

The molecular formula of Docetaxel is C43H53NO14.

What is the molecular weight of Docetaxel?

The molecular weight of Docetaxel is 807.9 g/mol.

What is the IUPAC Name of Docetaxel?

The IUPAC Name of Docetaxel is [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0 3,10 .0 4,7 ]heptadec-13-en-2-yl] benzoate.

What is the InChI of Docetaxel?

The InChI of Docetaxel is InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1.

What is the InChIKey of Docetaxel?

The InChIKey of Docetaxel is ZDZOTLJHXYCWBA-VCVYQWHSSA-N.

What is the Canonical SMILES of Docetaxel?

The Canonical SMILES of Docetaxel is CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O.

What is the CAS number of Docetaxel?

The CAS number of Docetaxel is 114977-28-5.

What is the ChEMBL ID of Docetaxel?

The ChEMBL ID of Docetaxel is CHEMBL92.

What is the UNII of Docetaxel?

The UNII of Docetaxel is 699121PHCA.

What is the primary physiologic effect of Docetaxel anhydrous?

The primary physiologic effect of Docetaxel anhydrous is Microtubule Inhibition.