10-O-[(2R,3S)-3-(Benzoylamino)-2-hydroxy-3-phenylpropanoyl]-10-O-deacetylpaclitaxel

CAS: 2157462-42-3

Ref. TR-B207800

Informação sobre produto

• Nome: 10-O-[(2R,3S)-3-(Benzoylamino)-2-hydroxy-3-phenylpropanoyl]-10-O-deacetylpaclitaxel
• Sinónimos: Paclitaxel Imp I (EP)

Descrição

Applications 10-O-[(2R,3S)-3-(Benzoylamino)-2-hydroxy-3-phenylpropanoyl]-10-O-deacetylpaclitaxel is an impurity in the synthesis of Paclitaxel (P132500), an antineoplastic. Used in the study of structure and function of microtubles into tubulin. Paclitaxel is now used to treat patients with lung, ovarian, breast cancer, head and neck cancer, and advanced forms of Kaposi's sarcoma.
References Letourneau, P.C., et al.: J. Cell Biol., 98, 1355 (1984), Manfredi, J.J., et al.: Pharmacol. Ther., 25, 83 (1984), Danesi, R., et al.: Mol. Pharmacol., 47, 1106 (1995), Markman, M., et al.: Expert. Opin. Pharmacother., 3, 755 (2002), Stone, G.W., et al.: N. Engl. J. Med., 350, 221 (2004),

• Marca: TRC

Propriedades químicas

• Peso molecular: 1079.15
• Fórmula: C₆₁H₆₂N₂O₁₆
• Cor/forma: White To Off-White
• InChI: InChI=1S/C61H62N2O16/c1-34-41(76-56(72)47(66)45(36-21-11-6-12-22-36)62-53(69)38-25-15-8-16-26-38)32-61(74)52(78-55(71)40-29-19-10-20-30-40)50-59(5,42(65)31-43-60(50,33-75-43)79-35(2)64)51(68)49(44(34)58(61,3)4)77-57(73)48(67)46(37-23-13-7-14-24-37)63-54(70)39-27-17-9-18-28-39/h6-30,41-43,45-50,52,65-67,74H,31-33H2,1-5H3,(H,62,69)(H,63,70)/t41-,42-,43+,45-,46-,47+,48+,49+,50-,52-,59+,60-,61+/m0/s1
• Chave InChI: InChIKey=MMFNPTUBULOFLH-ZNVQXGABSA-N
• SMILES: CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](OC(=O)[C@@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)C12)C3(C)C