3-azidomethyl-4-(thiophen-2-yl)butyric acid tert-butyl ester | 311803-79-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-azidomethyl-4-(thiophen-2-yl)butyric acid tert-butyl ester
• 英文别名: Tert-butyl 3-(azidomethyl)-4-thiophen-2-ylbutanoate
• CAS: 311803-79-9
• 化学式: C₁₃H₁₉N₃O₂S
• 分子量: 281.379
• InChiKey: WQEIAKNCEHYPBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  68.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-azidomethyl-4-(thiophen-2-yl)butyric acid tert-butyl ester 在 甲酸 作用下， 反应 2.0h， 以97%的产率得到3-azidomethyl-4-(thiophen-2-yl)butyric acid
  参考文献：
  名称：

  3-heteroarylalkyl substituted gaba analogs

  摘要：

  这项发明是一种新型化合物系列，可用于治疗癫痫、晕厥发作、神经退行性疾病、抑郁症、焦虑、恐慌、疼痛、神经病理性疾病、肠道紊乱症（IBS）以及炎症，尤其是关节炎。包含一种该发明化合物的药物组合物，以及制备这些化合物的方法和在制备最终化合物中有用的新型中间体。

  公开号：

  US06710190B1
• 作为产物：
  描述：

  3-(2-噻吩)丙酸甲酯 在 lithium hydroxide 、 sodium azide 、 dimethyl sulfide borane 、 TEA 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二氯甲烷 、 二甲基亚砜 、 异丙醇 为溶剂， 生成 3-azidomethyl-4-(thiophen-2-yl)butyric acid tert-butyl ester
  参考文献：
  名称：

  Heteroaromatic side-chain analogs of pregabalin

  摘要：

  A series of heteroaromatic analogs of pregabalin has been identified that possess anticonvulsant activity in the DBA/2 mouse model. The methods of synthesis and preliminary pharmacology are discussed herein. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.090

文献信息

• 3-heteroarylalkyl substituted gaba analogs
  申请人：Warner-Lambert Company

  公开号：US06710190B1

  公开（公告）日：2004-03-23

  The invention is a novel series of compounds which are useful in the treatment of epilepsy, faintness attacks, neurodegenerative disorders, depression, anxiety, panic, pain, neuropathological disorders, gastrointestinal disorders such as irritable bowel syndrome (IBS), and inflammation, especially arthritis. A pharmaceutical composition containing a compound of the invention as well as methods of preparing the compounds and novel intermediates useful in the preparation of the final compounds are included.

  这项发明是一种新型化合物系列，可用于治疗癫痫、晕厥发作、神经退行性疾病、抑郁症、焦虑、恐慌、疼痛、神经病理性疾病、肠道紊乱症（IBS）以及炎症，尤其是关节炎。包含一种该发明化合物的药物组合物，以及制备这些化合物的方法和在制备最终化合物中有用的新型中间体。
• 3-HETEROARYLALKYL SUBSTITUTED GABA ANALOGS
  申请人：Warner-Lambert Company LLC

  公开号：EP1185524B1

  公开（公告）日：2005-01-26
• 3-heteroarylalkyl substituted GABA analogs
  申请人：——

  公开号：US20040127724A1

  公开（公告）日：2004-07-01

  The invention is a novel series of compounds which are useful in the treatment of epilepsy, faintness attacks, neurodegenerative disorders, depression, anxiety, panic, pain, neuropathological disorders, gastrointestinal disorders such as irritable bowel syndrome (IBS), and inflammation, especially arthritis. A pharmaceutical composition containing a compound of the invention as well as methods of preparing the compounds and novel intermediates useful in the preparation of the final compounds are included.
• US6833385B2
  申请人：——

  公开号：US6833385B2

  公开（公告）日：2004-12-21
• [EN] 3-HETEROARYLALKYL SUBSTITUTED GABA ANALOGS<br/>[FR] ANALOGUES DE GABA SUBSTITUES PAR 3-HETEROARYLALKYLE
  申请人：WARNER LAMBERT CO

  公开号：WO2000073296A2

  公开（公告）日：2000-12-07

  The invention is a novel series of compounds which are useful in the treatment of epilepsy, faintness attacks, neurodegenerative disorders, depression, anxiety, panic, pain, neuropathological disorders, gastrointestinal disorders such as irritable bowel syndrome (IBS), and inflammation, especially arthritis. A pharmaceutical composition containing a compound of the invention as well as methods of preparing the compounds and novel intermediates useful in the preparation of the final compounds are included.