3-[(4-Bromo-2,6-difluorophenyl)methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxamide;hydrobromide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-[(4-Bromo-2,6-difluorophenyl)methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxamide;hydrobromide
• 化学式: C20H25Br2F2N5O3S
• 分子量: 613.3
• InChiKey: VQZTUZCKTWFBIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.44
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  138
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• Salt forms of 3-(4-bromo-2,6-difluoro-benzyloxy)-5-[3-(4-pyrrolidin-1-yl-butyl)-ureido]-isothiazole-4-carboxylic acid amide and method of production
  申请人：Pfizer Inc.

  公开号：US20020151573A1

  公开（公告）日：2002-10-17

  The invention relates to hydrochloride, hydrobromide, hemi-citrate, acetate, p-tosylate, L-tartrate, hemi-succinate, and mesylate salt forms of 3-(4-bromo-2,6-difluoro-benzyloxy)-5-[3-(4-pyrrolidin-1-yl-butyl)-ureido]-isothiazole-4-carboxylic acid amide having the following formula: 1 The invention also relates to pharmaceutical compositions containing the hydrochloride, hydrobromide, hemi-citrate, acetate, p-tosylate, L-tartrate, hemi-succinate, and mesylate salts of formula I. The invention further relates to methods of treating hyperproliferative diseases, such as cancers, in mammals, especially humans by administering the above salts and to methods of preparing the crystal forms of the above salts.

  本发明涉及3-(4-溴-2,6-二氟苯氧基)-5-[3-(4-吡咯烷-1-基-丁基)脲基]异噻唑-4-羧酸酰胺的盐形式，包括盐酸盐、溴化盐、半柠檬酸盐、醋酸盐、对甲苯磺酸盐、L-酒石酸盐、半琥珀酸盐和甲磺酸盐，其化学式如下：1本发明还涉及含有式I中盐酸盐、溴化盐、半柠檬酸盐、醋酸盐、对甲苯磺酸盐、L-酒石酸盐、半琥珀酸盐和甲磺酸盐的制药组合物。本发明还涉及通过给予上述盐来治疗哺乳动物，特别是人类的增生性疾病，例如癌症的方法，并涉及制备上述盐的晶体形式的方法。
• SALTS OF AN ISOTHIAZOLE-4-CARBOXAMIDE AND THEIR USE AS ANTI-HYPERPROLIFERATION AGENTS
  申请人：Pfizer Products Inc.

  公开号：EP1337521A1

  公开（公告）日：2003-08-27
• EP1337521B1
  申请人：——

  公开号：EP1337521B1

  公开（公告）日：2006-09-27
• US6831091B2
  申请人：——

  公开号：US6831091B2

  公开（公告）日：2004-12-14
• [EN] SALTS OF A ISOTHIAZOLE-4-CARBOXAMIDE AND THEIR USE AS ANTI-HYPERPROLIFERATION AGENTS<br/>[FR] SELS D'UN ISOTHIAZOLE-4-CARBOXAMIDE ET LEUR UTILISATION COMME AGENTS ANTI-HYPERPROLIFERATIFS
  申请人：PFIZER PROD INC

  公开号：WO2002044158A1

  公开（公告）日：2002-06-06

  The invention relates to hydrochloride, hydrobromide, hemi-citrate, acetate, p-tosylate, L-tartrate, hemi-succinate, and mesylate salt forms of 3-(4-bromo-2.6-difluoro-benzyloxy)-5-[3-(4-pyrrolidin-1-yl-butyl)-ureido]-isothiazole-4-carboxylic acid amide having the following formula: formula 1. The invention also relates to pharmaceutical compositions containing the hydrochloride, hydrobromide, hemi-citrate, acetate, p-tosylate, L-tartrate, hemi-succinate, and mesylate salts of formula 1. The invention further relates to methods of treating hyperproliferative diseases, such as cancers, in mammals, especially humans by administering the above salts and to methods of preparing the crystal forms of the above slats.