4-bromo-1-(2-methylpropoxy)-2-nitrobenzene | 876938-69-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-bromo-1-(2-methylpropoxy)-2-nitrobenzene
• 英文别名: 4-bromo-1-isobutoxy-2-nitrobenzene
• CAS: 876938-69-1
• 化学式: C₁₀H₁₂BrNO₃
• 分子量: 274.114
• InChiKey: RDAJBXLFWOEHNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-bromo-1-(2-methylpropoxy)-2-nitrobenzene 在 四(三苯基膦)钯 、 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 potassium acetate 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 C₁₄H₁₆N₄O₄
  参考文献：
  名称：

  Isocytosine-based inhibitors of xanthine oxidase: Design, synthesis, SAR, PK and in vivo efficacy in rat model of hyperuricemia

  摘要：

  Structure-activity relationship studies were carried out for lead generation following structure-guided design approach from an isocytosine scaffold identified earlier for xanthine oxidase inhibition. A 470-fold improvement in in vitro IC50 was obtained in the process. Five most potent compounds with nanomolar IC50 values were selected for pharmacokinetics and in vivo experiments. The best compound showed good in vivo activity when administered intraperitoneally but was not active by oral route. The results suggest that improvement in oral exposure could improve the in vivo efficacy of this series. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.029
• 作为产物：
  描述：

  溴代异丁烷 、 4-溴-2-硝基苯酚 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以97 %的产率得到4-bromo-1-(2-methylpropoxy)-2-nitrobenzene
  参考文献：
  名称：

  方形平面 Cu4 簇的合成

  摘要：

  多核反应位点催化化学中一些最具挑战性的转变。原子级精确簇化合物的编程组装具有挑战性。在这里，我们描述了超分子配体的合成，该配体旨在使定义明确的方形平面四核铜簇成核，建立能够使氧化应力在簇上离域的金属-金属相互作用。

  DOI：

  10.1002/anie.202209529

文献信息

• AZOLE BENZENE DERIVATIVE AND CRYSTALLINE FORM THEREOF
  申请人：TEIJIN PHARMA LIMITED

  公开号：US20170247364A1

  公开（公告）日：2017-08-31

  There are provided: 4-methyl-2-[4-(2-methylpropoxy)-3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxylic acid, a sodium salt thereof and crystals of these, useful as a therapeutic agent and a prophylactic agent for gout, hyperuricemia and the like, and a method for producing the same.

  提供了以下物质：4-甲基-2-[4-(2-甲基丙氧基)-3-(1H-1,2,3,4-四唑-1-基)苯基]-1,3-噻唑-5-羧酸，其钠盐和晶体，可以用作痛风、高尿酸血症等治疗和预防药物，以及其制备方法。
• 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。
• 2-phenylthiophene derivative
  申请人：Astellas Pharma Inc.

  公开号：US07612108B2

  公开（公告）日：2009-11-03

  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，和电子给予基，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，并且不具有来自核酸的结构，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，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。
• 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：