(3-cyano-4-isobutoxyphenyl)boronic acid | 876918-32-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (3-cyano-4-isobutoxyphenyl)boronic acid
• 英文别名: CBBA；3-cyano-4-isobutoxyphenyl boronic acid；[3-cyano-4-(2-methylpropoxy)phenyl]boronic acid
• CAS: 876918-32-0
• 化学式: C₁₁H₁₄BNO₃
• 分子量: 219.048
• InChiKey: ZRLYHURWZGCNKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.27
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  73.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3-cyano-4-isobutoxyphenyl)boronic acid 在 四(三苯基膦)钯 sodium carbonate 作用下， 以 水 、 甲苯 为溶剂， 反应 7.0h， 生成 非布索坦
  参考文献：
  名称：

  [EN] PROCESSES FOR THE PREPARATION OF FEBUXOSTAT AND SALTS THEREOF
  [FR] PROCÉDÉS POUR LA PRÉPARATION DE FEBUXOSTAT ET DE SELS DE CELUI-CI

  摘要：

  提供了一种制备式（I）的非布索他的过程或其药用盐的方法，该方法包括：将式（A）的化合物与式（B）的化合物缩合以形成非布索他的酯；水解非布索他的酯以得到非布索他，并可选择将非布索他转化为其药用盐，其中：R'是从硼酸或锂中选择的活化基团；R从可选择的取代的C1-4烷基或可选择的取代的芳基中选择；L是从重氮基，卤素，-OSO2R"，-OCOR"或-O-Si（R"）3中选择的脱离基团；R"从可选择的取代的C1-4烷基或可选择的取代的芳基中选择。

  公开号：

  WO2011073617A1
• 作为产物：
  描述：

  5-bromo-2-isobutoxybenzonitrile 以51的产率得到(3-cyano-4-isobutoxyphenyl)boronic acid
  参考文献：
  名称：

  [EN] PROCESSES FOR THE PREPARATION OF FEBUXOSTAT AND SALTS THEREOF
  [FR] PROCÉDÉS POUR LA PRÉPARATION DE FEBUXOSTAT ET DE SELS DE CELUI-CI

  摘要：

  提供了一种制备式（I）的非布洛克酸或其药学上可接受的盐的费布索司他的过程，该过程包括：将式（A）的化合物与式（B）的化合物缩合形成费布索司他的酯；水解费布索司他的酯成费布索司他，可选地将费布索司他转化为其药学上可接受的盐，其中：R'是从硼酸或锂中选择的活化基团；R从可选的取代C1-4烷基或可选的取代芳基中选择；L是从重氮基，卤素，-OSO2R"，-OCOR"或-O-Si（R"）3中选择的离去基团；R"从可选的取代C1-4烷基或可选的取代芳基中选择。

  公开号：

  WO2011073617A1

文献信息

• PROCESS AND INTERMEDIATES FOR THE PREPARATION OF SUBSTITUTED 2-ARYLTHIAZOLE CARBOXYLIC ACIDS
  申请人：Mizhiritskii Michael

  公开号：US20140228417A1

  公开（公告）日：2014-08-14

  The present invention relates to processes and intermediates for the preparation of derivatives of 2-arylthiazole such as Febuxostat and its analogs. Febuxostat which is an inhibitor of xanthine oxidase, is used for the treatment of chronic hyperuricaemia in conditions in which urate deposition has occurred, such as gouty arthritis.

  本发明涉及用于制备2-芳基噻唑衍生物的过程和中间体，例如非布索他和其类似物。非布索他是一种黄嘌呤氧化酶抑制剂，用于治疗慢性高尿酸血症，如痛风性关节炎等病症中尿酸沉积已发生的情况。
• [EN] 2-PHENYLPYRIDINE DERIVATIVE<br/>[FR] DERIVE DE 2-PHENYLPYRIDINE
  申请人：ASTELLAS PHARMA INC

  公开号：WO2006022374A1

  公开（公告）日：2006-03-02

  A 2-phenylpyridine derivative represented by the following general formula (I) or a salt thereof. The compounds have satisfactory xanthine oxidase inhibitory activity and uric acid-lowering activity and are useful as a therapeutic or preventive agent for hyperuricemia, gout, inflammatory intestinal diseases, diabetic nephropathy, diabetic retinopathy, etc. [The symbols in the formula have the following meanings: R1: H, etc.; R2: -CO2H, etc.; R3 and R4: H, etc.; R5: -CN, etc.; R6: H, etc.; X: -O-, -N(R8)-, or -S-; (provided that the groups represented by R5 and -X-R7 are bonded in a meta position or the para position to the pyridyl group) R8: H, etc.; R7: C1-8 linear or branched alkyl, etc.; Y: a bond, etc.; and R9, R10, and R11: H, etc. (provided that when X is -N(R8)-, then R8 may be bonded to R7 to form a nitrogenous saturated heterocycle in cooperation with the adjacent nitrogen atom).]

  由以下通式（I）表示的2-苯基吡啶衍生物或其盐。这些化合物具有令人满意的黄嘌呤氧化酶抑制活性和降低尿酸活性，并可用作高尿酸血症、痛风、炎症性肠道疾病、糖尿病肾病、糖尿病视网膜病等的治疗或预防剂。【式中符号的含义如下：R1：H，等；R2：-CO2H，等；R3和R4：H，等；R5：-CN，等；R6：H，等；X：-O-，-N（R8）-，或-S-；（前提是由R5和-X-R7表示的基团与吡啶基团在间位或对位上结合）R8：H，等；R7：C1-8直链或支链烷基，等；Y：键，等；以及R9、R10和R11：H，等。（前提是当X为-N（R8）-时，那么R8可以与R7结合以与相邻的氮原子共同形成氮饱和杂环）。】
• 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-Phenylpyridine Derivative
  申请人：Miyata Junji

  公开号：US20070275950A1

  公开（公告）日：2007-11-29

  The present invention relates to a novel 2-phenylpyridine derivative or a salt thereof, wherein the pyridine 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.

  本发明涉及一种新型2-苯基吡啶衍生物或其盐，其中吡啶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）。由于本发明化合物具有良好的黄嘌呤氧化酶抑制作用和降尿酸作用，并且不具有核酸衍生的结构，因此与传统化合物相比，具有高安全性和优异的效果，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、糖尿病视网膜病变等的药物。
• 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。