methyl 2-((1R,3s,5S)-3-(isocyanatomethyl)bicyclo[3.2.0]heptan-3-yl)acetate | 474082-64-9

• 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: methyl 2-((1R,3s,5S)-3-(isocyanatomethyl)bicyclo[3.2.0]heptan-3-yl)acetate
• CAS: 474082-64-9
• 化学式: C₁₂H₁₇NO₃
• 分子量: 223.272
• InChiKey: UTIZVRZTYRILBQ-PEGIJTEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.69
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  55.73
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  methyl 2-((1R,3s,5S)-3-(isocyanatomethyl)bicyclo[3.2.0]heptan-3-yl)acetate 在 盐酸 、 水 作用下， 生成 (1α,3α,5α)-3-aminomethylbicyclo[3.2.0]heptane-3-acetic acid
  参考文献：
  名称：

  Synthesis and in vivo evaluation of bicyclic gababutins

  摘要：

  Synthesis of a number of bicyclic five-membered ring derivatives of gabapentin led to the identification of two compounds, (-)-(11A) and (20A) which both had an excellent level of potency against alpha(2)delta and were pro. led in an in vivo model of neuropathic pain. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.118
• 作为产物：
  描述：

  在 叠氮磷酸二苯酯 、 三乙胺 作用下， 以 甲苯 为溶剂， 生成 methyl 2-((1R,3s,5S)-3-(isocyanatomethyl)bicyclo[3.2.0]heptan-3-yl)acetate
  参考文献：
  名称：

  Synthesis and in vivo evaluation of bicyclic gababutins

  摘要：

  Synthesis of a number of bicyclic five-membered ring derivatives of gabapentin led to the identification of two compounds, (-)-(11A) and (20A) which both had an excellent level of potency against alpha(2)delta and were pro. led in an in vivo model of neuropathic pain. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.118

文献信息

• US7189747B2
  申请人：——

  公开号：US7189747B2

  公开（公告）日：2007-03-13
• [EN] ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS<br/>[FR] LIGANDS ALPHA 2 DELTA DANS LE TRAITEMENT DES ACOUPHENES
  申请人：WARNER LAMBERT CO

  公开号：WO2003063845A1

  公开（公告）日：2003-08-07

  The invention relates to a method of treating tinnitus by administering an alpha2delta ligand such as, for example, a compound of Formula (I) and pharmaceutically acceptable salts thereof, wherein R1 is hydrogen or straight or branched lower alkyl, and n is an integer of from 4 to 6.