Docetaxel

CAS: 114977-28-5

Ref. 3D-FD10817

Product Information

• Name: Docetaxel
• Synonyms: n-Debenzoyl-n-tert-butoxycarbonyl-10-deacetyl taxol, (1beta,2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate, (2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate, (2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate, 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv., Ati 1123, 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-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-, Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-, Bind-014, Ckd 810, Crlx 301, Decetaxel anhydrous, Docefrez, Docetaxel Anhydrous, Docetaxol, Docetere, Duopafei, Miradocetaxel, N-Debenzoyl-N-tert-butoxycarbonyl-10-deacetyltaxol, N-debenzoyl-N-tert-butoxycarbonyl-10-deacetyl taxol, Rp 56976, Sid 530, Taxotel
• CAS: 114977-28-5

Description

A cytotoxic taxane and anti-microtubule agent with anti-proliferative activity. Docetaxel binds to the β-subunit of tubulin, which results in increased polymerisation and stabilisation of microtubules. The compound interferes with microtubule dynamics, which leads to the cell cycle arrest in the G2/M phase and apoptosis. The compound has significant inhibitory activity in solid tumors either alone or in combination with other chemotherapeutic agents.

• Brand: Biosynth

Chemical properties

• Molecular weight: 807.88 g/mol
• Formula: C₄₃H₅₃NO₁₄
• Purity: Min. 98 Area-%
• Color/Form: White Powder
• InChI: InChI=1S/C43H53NO14/c1-23-27(55-37(51)32(48)30(25-14-10-8-11-15-25)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)26-16-12-9-13-17-26)33-41(21-45,34(49)31(47)29(23)40(43,6)7)19-18-28-42(33,22-54-28)57-24(2)46/h8-17,27-28,30-33,35,45,47-48,53H,18-22H2,1-7H3,(H,44,52)/t27-,28+,30-,31+,32+,33-,35-,41-,42-,43+/m0/s1
• InChI key: InChIKey=DILAYYURBDUAOD-YAMYDGGLSA-N
• SMILES: CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(CO)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C