(3S,4S)-(3,4-dimethyl-1-nitromethyl-cyclopentyl)-acetic acid ethyl ester | 223445-61-2

• 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: (3S,4S)-(3,4-dimethyl-1-nitromethyl-cyclopentyl)-acetic acid ethyl ester
• 英文别名: ethyl 2-[(3S,4S)-3,4-dimethyl-1-(nitromethyl)cyclopentyl]acetate
• CAS: 223445-61-2
• 化学式: C₁₂H₂₁NO₄
• 分子量: 243.303
• InChiKey: XFBFXEQNMLQECT-UWVGGRQHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3S,4S)-(3,4-dimethyl-1-nitromethyl-cyclopentyl)-acetic acid ethyl ester 在 氢气 、 镍 作用下， 以 甲醇 为溶剂， 生成 (7S,8S)-7,8-dimethyl-2-aza-spiro[4.4]nonan-3-one
  参考文献：
  名称：

  Synthesis and in vivo evaluation of 3,4-disubstituted gababutins

  摘要：

  A range of 3,4-alkylated five-membered ring derivatives of gabapentin were synthesised. One compound (21) had an excellent level of potency against alpha(2)delta and was pro. led in in vivo models of pain and anxiety. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.121
• 作为产物：
  描述：

  (+/-) (trans)-(3,4-Dimethyl-cyclopentylidene)-acetic acid ethyl ester 以65的产率得到(3S,4S)-(3,4-dimethyl-1-nitromethyl-cyclopentyl)-acetic acid ethyl ester
  参考文献：
  名称：

  Bioorg. Med. Chem. Lett. 2010, 20, 248-251

  摘要：

  DOI：

文献信息

• Cyclic amino acids and derivatives thereof useful as pharmaceutical agents
  申请人：——

  公开号：US20030220397A1

  公开（公告）日：2003-11-27

  The invention is a novel series of cyclic amino acids 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.

  这项发明是一系列新型的环状氨基酸，可用于治疗癫痫、晕厥发作、神经退行性疾病、抑郁症、焦虑症、惊恐症、疼痛、神经病理性疾病、肠道功能紊乱综合症（IBS）和炎症，特别是关节炎。包含一种该发明化合物的药物组合物以及制备该化合物的方法和制备最终化合物有用的新型中间体。
• Gabapentin analogues for fibromy algia and concomitant disorders
  申请人：——

  公开号：US20040180959A1

  公开（公告）日：2004-09-16

  This invention provides new uses for compounds of formula 1 or a pharmaceutically acceptable salt thereof for the treatment of fibromyalgia and other disorders.

  该发明提供了公式1化合物或其药学上可接受的盐的新用途，用于治疗纤维肌痛和其他疾病。
• BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF DIABETIC RETINOPATHY
  申请人：Warner-Lambert Company LLC

  公开号：EP1157000B1

  公开（公告）日：2005-11-02
• [EN] STEREOSELECTIVE SYNTHESIS OF 3,4-DISUBSTITUTED CYCLOPENTANONES AND RELATED COMPOUNDS<br/>[FR] SYNTHESE STEREOSELECTIVE DE CYCLOPENTANONES 3,4-DISUBSTITUES ET COMPOSES CORRESPONDANTS
  申请人：PHARMACIA & UPJOHN CO LLC

  公开号：WO2007010387A3

  公开（公告）日：2007-04-26
• CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF USEFUL AS PHARMACEUTICAL AGENTS
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP1032555A1

  公开（公告）日：2000-09-06