CRYSTAL-STRUCTURE OF 2-DEBENZOYL, 2-ACETOXY PACLITAXEL (TAXOL(R)) - CONFORMATION OF THE PACLITAXEL SIDE-CHAIN

被引：12

作者：

GAO, Q ^{[1
]}

WEI, JM ^{[1
]}

CHEN, SH ^{[1
]}

机构：

[1] BRISTOL MYERS SQUIBB CO,PHARMACEUT RES INST,CENT CHEM,WALLINGFORD,CT 06492

来源：

PHARMACEUTICAL RESEARCH | 1995年 / 12卷 / 03期

关键词：

2-DEBENZOYL; 2-ACETOXY PACLITAXEL; DOCETAXEL; PACLITAXEL SIDE-CHAIN; CRYSTAL STRUCTURE; SOLID STATE CONFORMATION; INTRAMOLECULAR HYDROGEN BONDING; INTERMOLECULAR HYDROGEN BONDING;

D O I：

10.1023/A:1016236014766

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Crystals of the C2-acetate analog of paclitaxel, grown from a mixture of isopropyl alcohol and methanol, belong to the space group P2(1) with a = 9.058(3), b = 18.306(5), c = 15.043(1) Angstrom, beta 97.09(1)degrees, Z = 2, V = 2475.1(9)Angstrom(3), D-calc = 1.269 gcm(-3) and mu = 0.75 cm(-1). The structure was determined by direct methods and refined to R(F) = 0.054 and wR(F) = 0.057 for 605 variables and 3496 observed reflections. The paclitaxel side chain possesses a conformation similar to that observed in the crystal structure of docetaxel (Taxotere(R)). A three dimensional network of hydrogen bonds is formed through solvent molecules and stabilizes the crystal lattice.

引用

页码：337 / 341

页数：5

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