CAS 92950-40-8

2′-Acetyltaxol

Description:

2′-Acetyltaxol, with the CAS number 92950-40-8, is a semi-synthetic derivative of taxol, a well-known chemotherapeutic agent derived from the Pacific yew tree, Taxus brevifolia. This compound features an acetyl group at the 2′ position of the taxane structure, which influences its pharmacological properties. 2′-Acetyltaxol exhibits antitumor activity by stabilizing microtubules and preventing their depolymerization, thereby inhibiting cell division. Its structural modifications can enhance solubility and bioavailability compared to its parent compound. The substance is typically characterized by its molecular formula, which reflects its carbon, hydrogen, and oxygen content, and its molecular weight, which is indicative of its size and potential interactions in biological systems. Additionally, 2′-Acetyltaxol may exhibit varying degrees of cytotoxicity against different cancer cell lines, making it a subject of interest in cancer research and drug development. As with many taxanes, its use may be accompanied by side effects, necessitating careful consideration in therapeutic applications.

Formula: C₄₉H₅₃NO₁₅

InChI: InChI=1S/C49H53NO15/c1-26-33(63-45(58)39(62-28(3)52)37(30-17-11-8-12-18-30)50-43(56)31-19-13-9-14-20-31)24-49(59)42(64-44(57)32-21-15-10-16-22-32)40-47(7,34(54)23-35-48(40,25-60-35)65-29(4)53)41(55)38(61-27(2)51)36(26)46(49,5)6/h8-22,33-35,37-40,42,54,59H,23-25H2,1-7H3,(H,50,56)/t33-,34-,35+,37-,38+,39+,40-,42-,47+,48-,49+/m0/s1

InChI key: InChIKey=IHVCSECZNFZVKP-XOVTVWCYSA-N

SMILES: O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](OC(C)=O)C(=O)[C@]3(C)[C@@H](O)C[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](NC(=O)C6=CC=CC=C6)C7=CC=CC=C7)OC(C)=O)=O)C5)[H]

Synonyms:

• 2′-Acetylpaclitaxel
• 2′-Acetyltaxol
• 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.
• Benzenepropanoic acid, α-(acetyloxy)-β-(benzoylamino)-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-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, α-(acetyloxy)-β-(benzoylamino)-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-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]]-
• Paclitaxel-2′-acetate
• benzenepropanoic acid, alpha-(acetyloxy)-beta-(benzoylamino)-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (alphaR,betaS)-

2'-Acetyltaxol

CAS: 92950-40-8

Formula: C₄₉H₅₃NO₁₅

Purity: 95%~99%

Molecular weight: 895.955

Ref: BP-BP4789

2'-Acetyltaxol

Controlled Product

CAS: 92950-40-8

Applications 2'-Acetyltaxol is a microtubule polymerization-inactive taxol analog.

Formula: C₄₉H₅₃NO₁₅

Color and Shape: Neat

Molecular weight: 895.94

Ref: TR-A189723