Paclitaxel 7-((alphaR,betaS)-β-(Benzoylamino)-α-hydroxybenzenepropanoate

CAS: 376629-82-2

Ref. TR-B002005

Produktinformation

• Name: Paclitaxel 7-((alphaR,betaS)-β-(Benzoylamino)-α-hydroxybenzenepropanoate
• Synonyme: (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-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,9-diylester-(αR,α'R,βS,β'S)-β-(benzoylamino)-α-hydroxy-benzenepropanoic Acid
• Marke: TRC
• Beschreibung: Applications 7,13-Bisside chainpacltaxel is a derivative of Paclitaxel (P132500) which has anticancer properties.References Zhong, T., et al.: Bioconjugate Chem., 29, 437-444 (2018)

Chemische Eigenschaften

• Molekulargewicht: 1121.19
• Formel: C₆₃H₆₄N₂O₁₇
• Farbe/Form: Neat
• InChl: InChI=1S/C63H64N2O17/c1-35-43(79-58(74)49(68)47(38-22-12-7-13-23-38)64-55(71)40-26-16-9-17-27-40)33-63(76)54(81-57(73)42-30-20-11-21-31-42)52-61(6,53(70)51(78-36(2)66)46(35)60(63,4)5)44(32-45-62(52,34-77-45)82-37(3)67)80-59(75)50(69)48(39-24-14-8-15-25-39)65-56(72)41-28-18-10-19-29-41/h7-31,43-45,47-52,54,68-69,76H,32-34H2,1-6H3,(H,64,71)(H,65,72)/t43-,44-,45+,47-,48-,49+,50+,51+,52-,54-,61+,62-,63+/m0/s1
• InChI Key: InChIKey=OTHFORAVARXDPO-CSGGZSGGSA-N
• SMILES: CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C