2-Chloro-5-(trifluoromethoxy)benzo[d]oxazole | 1198792-80-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 2-Chloro-5-(trifluoromethoxy)benzo[d]oxazole
• 英文别名: 2-chloro-5-(trifluoromethoxy)-1,3-benzoxazole
• CAS: 1198792-80-1
• 化学式: C₈H₃ClF₃NO₂
• 分子量: 237.566
• InChiKey: IWRAVVGRPGVBET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  35.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-Chloro-5-(trifluoromethoxy)benzo[d]oxazole 、 4-氨基-1-哌啶甲酸乙酯 在 三乙胺 作用下， 反应 0.08h， 生成 4-(5-trifluoromethoxy-benzooxazol-2-ylamino)-piperidine-1-carboxylic acid ethyl ester
  参考文献：
  名称：

  Benzoxazole piperidines as selective and potent somatostatin receptor subtype 5 antagonists

  摘要：

  SAR studies of a recently described SST5R selective benzoxazole piperidine lead series are described with particular focus on the substitution pattern on the benzyl and benzoxazole side-chains. Introduction of a second meta substituent at the benzyl unit significantly lowers residual hH1 activity and insertion of substituents onto the benzoxazole periphery entirely removes remaining h5-HT(2B) activity. Compounds with single digit nM activity, functional antagonism and favorable physicochemical properties endowed with a good pharmacokinetic pro. le in rats are described which should become valuable tools for exploring the pharmacological role of the SST5 receptor in vivo. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.024

文献信息

• [EN] DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS DE DIAMINOCYCLOHEXANE ET LEURS UTILISATIONS
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2013012827A1

  公开（公告）日：2013-01-24

  The present invention provides compounds of Formula (I), or a stereoisomer, or a pharmaceutically acceptable salt thereof, wherein all of the variables are as defined herein. These compounds are agonists, partial agonists and modulators of the NPY Y4 receptor and may be used for the treatment and prophylaxis of various diseases and conditions.

  本发明提供了化合物的结构式（I），或其立体异构体，或其药学上可接受的盐，其中所有变量均如本文所定义。这些化合物是NPY Y4受体的激动剂、部分激动剂和调节剂，可用于治疗和预防各种疾病和病况。
• DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF
  申请人：Ewing William R.

  公开号：US20130184284A1

  公开（公告）日：2013-07-18

  The present invention provides compounds of Formula (I): or a stereoisomer, or a pharmaceutically acceptable salt thereof, wherein all of the variables are as defined herein. These compounds are agonists, partial agonists and modulators of the NPY Y4 receptor and may be used for the treatment and prophylaxis of various diseases and conditions.

  本发明提供式(I)化合物：或其立体异构体或药学上可接受的盐，其中所有变量的定义如本文所述。这些化合物是 NPY Y4 受体的激动剂、部分激动剂和调节剂，可用于治疗和预防各种疾病和病况。
• US8815909B2
  申请人：——

  公开号：US8815909B2

  公开（公告）日：2014-08-26
• Benzoxazole piperidines as selective and potent somatostatin receptor subtype 5 antagonists
  作者：Rainer E. Martin、Peter Mohr、Hans Peter Maerki、Wolfgang Guba、Christoph Kuratli、Olivier Gavelle、Alfred Binggeli、Stefanie Bendels、Rubén Alvarez-Sánchez、André Alker、Liudmila Polonchuk、Andreas D. Christ

  DOI：10.1016/j.bmcl.2009.09.024

  日期：2009.11

  SAR studies of a recently described SST5R selective benzoxazole piperidine lead series are described with particular focus on the substitution pattern on the benzyl and benzoxazole side-chains. Introduction of a second meta substituent at the benzyl unit significantly lowers residual hH1 activity and insertion of substituents onto the benzoxazole periphery entirely removes remaining h5-HT(2B) activity. Compounds with single digit nM activity, functional antagonism and favorable physicochemical properties endowed with a good pharmacokinetic pro. le in rats are described which should become valuable tools for exploring the pharmacological role of the SST5 receptor in vivo. (c) 2009 Elsevier Ltd. All rights reserved.