4-(氯甲基)-5-甲基-2-(噻吩-3-基)恶唑 | 1107663-77-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4-(氯甲基)-5-甲基-2-(噻吩-3-基)恶唑
• 英文名称: 4-(Chloromethyl)-5-methyl-2-(thiophen-3-yl)-1,3-oxazole
• 英文别名: 4-(chloromethyl)-5-methyl-2-thiophen-3-yl-1,3-oxazole
• CAS: 1107663-77-3
• 化学式: C₉H₈ClNOS
• mdl: MFCD16622128
• 分子量: 213.688
• InChiKey: NTZYYXVEAWDWCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  54.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(氯甲基)-5-甲基-2-(噻吩-3-基)恶唑 在 硫酸 、 水 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 生成
  参考文献：
  名称：

  Revisiting glitazars: Thiophene substituted oxazole containing α-ethoxy phenylpropanoic acid derivatives as highly potent PPARα/γ dual agonists devoid of adverse effects in rodents

  摘要：

  In an effort to develop safe and efficacious compounds for the treatment of metabolic disorders, novel thiophene substituted oxazole containing alpha-alkoxy-phenylpropanoic acid derivatives are designed as highly potent PPAR alpha/gamma dual agonists. These compounds were found to be efficacious at picomolar concentrations. Lead compound 18d has emerged as very potent PPAR alpha/gamma dual agonist demonstrating potent antidiabetic and lipid lowering activity at a very low dose and did not exhibit any significant signs of toxicity in rodents. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.020
• 作为产物：
  描述：

  4,5-Dimethyl-2-(thiophen-3-YL)-1,3-oxazol-3-ium-3-olate 在 三氯氧磷 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 14.0h， 生成 4-(氯甲基)-5-甲基-2-(噻吩-3-基)恶唑
  参考文献：
  名称：

  Revisiting glitazars: Thiophene substituted oxazole containing α-ethoxy phenylpropanoic acid derivatives as highly potent PPARα/γ dual agonists devoid of adverse effects in rodents

  摘要：

  In an effort to develop safe and efficacious compounds for the treatment of metabolic disorders, novel thiophene substituted oxazole containing alpha-alkoxy-phenylpropanoic acid derivatives are designed as highly potent PPAR alpha/gamma dual agonists. These compounds were found to be efficacious at picomolar concentrations. Lead compound 18d has emerged as very potent PPAR alpha/gamma dual agonist demonstrating potent antidiabetic and lipid lowering activity at a very low dose and did not exhibit any significant signs of toxicity in rodents. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.020

文献信息

• SUBSTITUTED ARYLOXAZOLES AND THEIR USE
  申请人：Nell Peter

  公开号：US20110130377A1

  公开（公告）日：2011-06-02

  The present application relates to novel substituted aryloxazole derivatives, a method for the production thereof, the use thereof for the treatment and/or prophylaxis of diseases and the use thereof for the production of drugs for the treatment and/or prophylaxis of diseases, preferably for the treatment and/or prevention of cardiovascular and metabolic disorders.

  本申请涉及新型取代芳氧唑衍生物，其生产方法，用于治疗和/或预防疾病的用途，以及用于生产用于治疗和/或预防疾病的药物的用途，优选用于治疗和/或预防心血管和代谢紊乱。
• SUBSTITUIERTE ARYLOXAZOLE UND IHRE VERWENDUNG
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：EP2185550B1

  公开（公告）日：2011-11-02
• US8440700B2
  申请人：——

  公开号：US8440700B2

  公开（公告）日：2013-05-14
• US9095582B2
  申请人：——

  公开号：US9095582B2

  公开（公告）日：2015-08-04
• [DE] SUBSTITUIERTE ARYLOXAZOLE UND IHRE VERWENDUNG<br/>[EN] SUBSTITUTED ARYLOXAZOLES AND THE USE THEREOF<br/>[FR] ARYLOXAZOLES SUBSTITUÉS ET LEUR UTILISATION
  申请人：BAYER HEALTHCARE AG

  公开号：WO2009015776A1

  公开（公告）日：2009-02-05

  Die vorliegende Anmeldung betrifft neue substituierte Aryloxazol-Derivate, Verfahren zu ihrer Herstellung, ihre Verwendung zur Behandlung und/oder Prophylaxe von Krankheiten sowie ihre Verwendung zur Herstellung von Arzneimitteln zur Behandlung und/oder Prophylaxe von Krankheiten, vorzugsweise zur Behandlung und/oder Prävention von kardiovaskulären und Stoffwechsel-Erkrankungen.