methyl 5-(3-cyano-4-{[(trifluoromethyl)sulfonyl]oxy}phenyl)thiophene-2-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: methyl 5-(3-cyano-4-{[(trifluoromethyl)sulfonyl]oxy}phenyl)thiophene-2-carboxylate
• 英文别名: Methyl 5-(3-cyano-4-{[(trifluoromethyl)sulfonyl]oxy}phenyl)thiophene-2-carboxylate；methyl 5-[3-cyano-4-(trifluoromethylsulfonyloxy)phenyl]thiophene-2-carboxylate
• 化学式: C₁₄H₈F₃NO₅S₂
• 分子量: 391.348
• InChiKey: AWQUNNMRBARJDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  130
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  环己亚胺 、 methyl 5-(3-cyano-4-{[(trifluoromethyl)sulfonyl]oxy}phenyl)thiophene-2-carboxylate 以 1,4-二氧六环 为溶剂， 反应 0.33h， 生成 methyl 5-(4-azepan-1-yl-3-cyanophenyl)thiophene-2-carboxylate
  参考文献：
  名称：

  EP1783124

  摘要：

  公开号：
• 作为产物：
  描述：

  三氟甲磺酸酐 、 methyl 5-(3-cyano-4-hydroxyphenyl)thiophene-2-carboxylate 以 吡啶 为溶剂， 以to obtain methyl 5-(3-cyano-4-{[(trifluoromethyl)sulfonyl]oxy}phenyl)thiophene-2-carboxylate的产率得到methyl 5-(3-cyano-4-{[(trifluoromethyl)sulfonyl]oxy}phenyl)thiophene-2-carboxylate
  参考文献：
  名称：

  2-Phenylthiophene Derivative

  摘要：

  本发明涉及一种2-苯基噻吩衍生物或其盐，其中噻吩环被羧基或类似物取代，苯环同时具有电子吸引基（如氰基）和电子供给基（如取代烷氧基）。由于该化合物具有良好的黄嘌呤氧化酶抑制作用和降尿酸作用，并且不具有源自核酸的结构，因此与传统化合物相比，该化合物具有高安全性和优异的效果，并可用作治疗或预防高尿酸血症、痛风、炎症性肠病、糖尿病肾病、糖尿病视网膜病等的药物。

  公开号：

  US20080027048A1

文献信息

• Triarylcarboxylic Acid Derivative
  申请人：Sato Junji

  公开号：US20090018104A1

  公开（公告）日：2009-01-15

  Provided is a triarylcarboxylic acid derivative, or an isomer, a prodrug, a hydrate, a solvate, a polymorph, or a pharmaceutically acceptable salt thereof, represented by the following general formula (I): wherein A is an optionally substituted aryl or heteroaryl, and B is an optionally substituted monocyclic heteroaryl; and a pharmaceutical composition comprising the same and a pharmaceutically acceptable carrier. The triarylcarboxylic acid derivative (I) exhibits potent xanthine oxidase inhibiting action and is therefore useful as a therapeutic agent for preventing or treating hyperuricemia, gout, inflammatory bowel disease, diabetic nephropathy and diabetic retinopathy.

  本发明提供一种三芳基羧酸衍生物，或其异构体、前药、水合物、溶剂物、多晶形态或其药学上可接受的盐，其通式如下（I）：其中A为可选取代的芳基或杂芳基，B为可选取代的单环杂芳基；以及包含上述化合物和药学上可接受的载体的制药组合物。该三芳基羧酸衍生物（I）表现出强效的黄嘌呤氧化酶抑制作用，因此适用于预防或治疗高尿酸血症、痛风、炎症性肠病、糖尿病肾病和糖尿病视网膜病变的治疗剂。
• AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER
  申请人：Kawakami Masakatsu

  公开号：US20090036428A1

  公开（公告）日：2009-02-05

  An object of the present invention is to provide an agent for treating or preventing digestive ulcer that is effective even to ulcer of small intestine and others, for which gastric acid secretion inhibitors such as proton pump inhibitors are ineffective, and is superior to allopurinol in the efficaciousness and the safety. The pharmaceutical composition of the present invention comprising a non-purine xanthine oxidase inhibitor as the active ingredient is useful as an agent for treating or preventing ulcer that forms in digestive tracts by the attack of gastric acid, pepsin, stress, Helicobacter pylori bacteria, NSAID, etc. In particular, it is useful as an ulcer remedy heretofore unknown in the art as it is effective even for ulcer in small intestine for which gastric/duodenal ulcer remedies that inhibit gastric acid secretion such as proton pump inhibitors are ineffective.

  本发明的目的是提供一种治疗或预防消化性溃疡的药剂，即使是质子泵抑制剂对小肠溃疡等无效的溃疡也能有效治疗或预防，并且在功效和安全性方面优于丙戊酸和乙酰水杨酸等药物。本发明的药物组合物包括非嘌呤黄嘌呤氧化酶抑制剂作为活性成分，可用作治疗或预防由胃酸、胃蛋白酶、压力、幽门螺杆菌、NSAID等侵蚀消化道形成的溃疡的药剂。特别是，它是一种迄今为止在技术上未知的溃疡治疗方法，因为它即使对于质子泵抑制剂等抑制胃酸分泌的胃/十二指肠溃疡治疗方法也非常有效，对于小肠溃疡也非常有效。
• 2-Phenylthiophene Derivative
  申请人：Miyata Junji

  公开号：US20080027048A1

  公开（公告）日：2008-01-31

  The present invention relates to a 2-phenylthiophene derivative or a salt thereof, wherein the thiophene ring is substituted with a carboxyl group or the like and the benzene ring has an electron-withdrawing group such as a cyano group and an electron-donating group such as a substituted alkoxy group at the same time. Since the compound of the invention has good xanthine oxidase-inhibitory action and uric acid-lowering action and does not have a structure derived from nucleic acid, the compound has advantages of high safety and excellent effects as compared with conventional compounds and is useful as a therapeutic or preventive agent for hyperuricemia, gout, inflammatory bowel diseases, diabetic kidney diseases, diabetic retinopathy, or the like.

  本发明涉及一种2-苯基噻吩衍生物或其盐，其中噻吩环被羧基或类似物取代，苯环同时具有电子吸引基（如氰基）和电子供给基（如取代烷氧基）。由于该化合物具有良好的黄嘌呤氧化酶抑制作用和降尿酸作用，并且不具有源自核酸的结构，因此与传统化合物相比，该化合物具有高安全性和优异的效果，并可用作治疗或预防高尿酸血症、痛风、炎症性肠病、糖尿病肾病、糖尿病视网膜病等的药物。
• Methods for treating an ulcer of the small intestine and stomach
  申请人：Astellas Pharma Inc.

  公开号：US08067446B2

  公开（公告）日：2011-11-29

  A method for treating a digestive ulcer of the small intestine or stomach is disclosed with a non-purine xanthine oxidase inhibitor that is a carboxylic acid compound, wherein the non-purine xanthine oxidase inhibitor is a carboxylic acid compound of formula (I) or its salt and wherein the terms of formula (I) are herein defined:

  本发明揭示了一种治疗小肠或胃消化性溃疡的方法，使用一种非嘌呤黄嘌呤氧化酶抑制剂，该抑制剂是一种羧酸化合物，其中非嘌呤黄嘌呤氧化酶抑制剂是公式(I)或其盐的羧酸化合物，公式(I)的术语在此定义：
• Triarylcarboxylic acid derivative
  申请人：Astellas Pharma Inc.

  公开号：US07816558B2

  公开（公告）日：2010-10-19

  Provided is a triarylcarboxylic acid derivative, or an isomer, a prodrug, a hydrate, a solvate, a polymorph, or a pharmaceutically acceptable salt thereof, represented by the following general formula (I): wherein A is an optionally substituted aryl or heteroaryl, and B is an optionally substituted monocyclic heteroaryl; and a pharmaceutical composition comprising the same and a pharmaceutically acceptable carrier. The triarylcarboxylic acid derivative (I) exhibits potent xanthine oxidase inhibiting action and is therefore useful as a therapeutic agent for preventing or treating hyperuricemia, gout, inflammatory bowel disease, diabetic nephropathy and diabetic retinopathy.

  提供了一种三芳基羧酸衍生物或其异构体、前药、水合物、溶剂物、多晶形或其药学上可接受的盐，其通式如下（I）：其中A是可选取代的芳基或杂芳基，B是可选取代的单环杂芳基；以及包含该化合物和药学上可接受的载体的制药组合物。该三芳基羧酸衍生物（I）表现出强效的黄嘌呤氧化酶抑制作用，因此可用作治疗高尿酸血症、痛风、炎症性肠病、糖尿病肾病和糖尿病视网膜病变的治疗药物。