5-bromo-2-(2,2,2-trifluoroethoxy)benzonitrile | 876918-64-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-bromo-2-(2,2,2-trifluoroethoxy)benzonitrile
• CAS: 876918-64-8
• 化学式: C₉H₅BrF₃NO
• 分子量: 280.044
• InChiKey: VTXCZGYTXVWKDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-bromo-2-(2,2,2-trifluoroethoxy)benzonitrile 、 1,4-二氧六环 、 Dicaesio carbonate 、 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 Sodium sulfate-III 、 ethyl acetate n-hexane 作用下， 以 water-ethyl acetate 为溶剂， 反应 24.0h， 以to give the title compound (44%)的产率得到5-(Methoxymethyl)-2-(2,2,2-trifluoroethoxy)benzonitrile
  参考文献：
  名称：

  N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS

  摘要：

  式I的化合物或其立体异构体、互变异构体、药学上可接受的盐、溶剂化合物或前药，其中环A、环C、X、Ra、Rb、Rc、Rd和n的定义如本文所述，是TrkA激酶的抑制剂，可用于治疗可通过TrkA激酶抑制剂治疗的疾病，如疼痛、癌症、炎症/炎症性疾病、神经退行性疾病、某些传染病、Sjogren综合征、子宫内膜异位症、糖尿病周围神经病变、前列腺炎或盆腔疼痛综合征。

  公开号：

  US20160272592A1
• 作为产物：
  描述：

  5-溴-2-羟基苯甲腈 、 N,N-二甲基甲酰胺 、 Dicaesio carbonate 、 2,2,2-三氟乙基 对甲苯磺酸酯 在 四丁基碘化铵 乙酸乙酯 、 Brine 、 Sodium sulfate-III 、 ethyl acetate n-hexane 作用下， 以 水 为溶剂， 反应 18.0h， 以to give 5-bromo-2-(2,2,2-trifluoroethoxy)benzonitrile (的产率得到5-bromo-2-(2,2,2-trifluoroethoxy)benzonitrile
  参考文献：
  名称：

  N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS

  摘要：

  式I的化合物或其立体异构体、互变异构体、药学上可接受的盐、溶剂化合物或前药，其中环A、环C、X、Ra、Rb、Rc、Rd和n的定义如本文所述，是TrkA激酶的抑制剂，可用于治疗可通过TrkA激酶抑制剂治疗的疾病，如疼痛、癌症、炎症/炎症性疾病、神经退行性疾病、某些传染病、Sjogren综合征、子宫内膜异位症、糖尿病周围神经病变、前列腺炎或盆腔疼痛综合征。

  公开号：

  US20160272592A1

文献信息

• [EN] N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS<br/>[FR] COMPOSÉS DE N-(ARYLALKYLE)-N'-PYRAZOLYLE-URÉE, DE THIOURÉE, DE GUANIDINE ET DE CYANOGUANIDINE EN TANT QU'INHIBITEURS DE LA KINASE TRKA
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2014078331A1

  公开（公告）日：2014-05-22

  Compounds of Formula I or stereoisomers, tautomers, or pharmaceutically acceptable salts, solvates or prodrugs thereof, wherein Ring A, Ring C, X, Ra, Rb, Rc, Rd and n are as defined herein, are inhibitors of TrkA kinase and are useful in the treatment of diseases which can be treated with a TrkA kinase inhibitor such as pain, cancer, inflammation/inflammatory diseases, neurodegenerative diseases, certain infectious diseases, Sjogren's syndrome, endometriosis, diabetic peripheral neuropathy, prostatitis or pelvic pain syndrome.

  公式I的化合物或立体异构体、互变异构体、或药用可接受的盐、溶剂化物或前药，其中环A、环C、X、Ra、Rb、Rc、Rd和n如本文所述定义，是TrkA激酶的抑制剂，可用于治疗可以用TrkA激酶抑制剂治疗的疾病，如疼痛、癌症、炎症/炎症性疾病、神经退行性疾病、某些传染病、舍格伦综合症、子宫内膜异位症、糖尿病周围神经病变、前列腺炎或骨盆疼痛综合征。
• 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-PHENYLPYRIDINE DERIVATIVE
  申请人：Astellas Pharma Inc.

  公开号：EP1783116A1

  公开（公告）日：2007-05-09

  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基团取代，苯环上同时具有一个取电子基团（如氰基）和一个供电子基团（如取代的烷氧基）。 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，且不具有来自核酸的结构，因此与传统化合物相比，本发明化合物具有安全性高、效果优异的优点，可作为高尿酸血症、痛风、炎症性肠病、糖尿病肾病、糖尿病视网膜病变或类似疾病的治疗剂或预防剂。
• US7820700B2
  申请人：——

  公开号：US7820700B2

  公开（公告）日：2010-10-26