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抗癌药物吉非替尼与袢利尿剂呋塞米的药物-药物分子盐水合物:多药治疗的一种替代方案。

Drug-Drug Molecular Salt Hydrate of an Anticancer Drug Gefitinib and a Loop Diuretic Drug Furosemide: An Alternative for Multidrug Treatment.

作者信息

Thorat Shridhar H, Sahu Sanjay Kumar, Patwadkar Manjusha V, Badiger Manohar V, Gonnade Rajesh G

机构信息

Center for Materials Characterization, CSIR-National Chemical Laboratory, Pashan, Pune, India.

Polymer Science and Engineering Division, CSIR-National Chemical Laboratory, Pashan, Pune, India.

出版信息

J Pharm Sci. 2015 Dec;104(12):4207-4216. doi: 10.1002/jps.24651. Epub 2015 Sep 28.

DOI:10.1002/jps.24651
PMID:26413799
Abstract

A 1:1 monohydrate salt containing gefitinib, an orally administrated chemotherapy treatment for lung and breast cancers and furosemide, a loop diuretic drug, commonly used in the treatment of hypertension and edema, has been prepared. The molecular salt crystallized in triclinic P-1 space group. The C-O bond lengths (~1.26 Å) in the COOH group show that proton transfer has occurred from furosemide to morpholine moiety of the gefitinib suggesting cocrystal to be ionic. The morpholine moiety of the gefitinib showed significant conformational change because of its involvement in conformation dictating the strong N-H···O hydrogen bonding interaction. The strong hydrogen bonding interaction between gefitinib and furosemide places their benzene rings in stacking mode to facilitate the generation of π-stack dimers. The neighboring dimers are bridged to each other via water molecule through N-H···O, C-H···O, O-H···N, and O-H···O interactions. The remarkable stability of the salt hydrate could be attributed to the strong hydrogen bonding interactions in the crystal structure. Interestingly, release of water from the lattice at 140°C produced new anhydrous salt that has better solubility and dissolution rate than salt hydrate. The drug-drug molecular salt may have some bearing on the treatment of patient suffering from anticancer and hypertension.

摘要

已制备出一种1:1的一水合物盐,其包含用于肺癌和乳腺癌治疗的口服化疗药物吉非替尼以及常用于治疗高血压和水肿的袢利尿剂呋塞米。该分子盐结晶于三斜P-1空间群。COOH基团中的C-O键长(约1.26 Å)表明质子已从呋塞米转移至吉非替尼的吗啉部分,这表明共晶体为离子型。吉非替尼的吗啉部分由于参与决定强N-H···O氢键相互作用的构象而显示出显著的构象变化。吉非替尼和呋塞米之间的强氢键相互作用使其苯环呈堆积模式,以促进π-堆积二聚体的形成。相邻的二聚体通过水分子经由N-H···O、C-H···O、O-H···N和O-H···O相互作用彼此桥连。盐水合物的显著稳定性可归因于晶体结构中的强氢键相互作用。有趣的是,在140°C下从晶格中释放出水会产生新的无水盐,其溶解度和溶解速率均优于盐水合物。这种药物-药物分子盐可能对患有癌症和高血压的患者的治疗有一定影响。

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