5-methoxy-2,2-dimethyl-7-(trifluoromethyl)-3H-inden-1-one | 881190-37-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 5-methoxy-2,2-dimethyl-7-(trifluoromethyl)-3H-inden-1-one
• CAS: 881190-37-0
• 化学式: C₁₃H₁₃F₃O₂
• 分子量: 258.24
• InChiKey: UPCYKVBAQFMHSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• Cyclic amine derivative or salt thereof
  申请人：Hayashibe Satoshi

  公开号：US20070197594A1

  公开（公告）日：2007-08-23

  Provided are compounds which are an NMDA antagonist having a broad safety margin and are useful as a treating agent or a preventing agent for Alzheimer's disease, cerebrovascular dementia, Parkinson's disease, ischemic apoplexy, pain, etc. Concretely provided are an amine derivative or its salt characterized in that the amine-containing structure A therein bonds to a 2- or 3-cyclic condensed ring (e.g., indane, tetralone, 4,5,6,7-tetrahydrobenzothiophene, 4,5,6,7-tetrahydrobenzofuran, 7,8-dihydro-6H-indeno[4,5-b]furan, 2,3-dihydro- 1 H-cyclopenta[1]naphthalene) via X 1 (bond or lower alkylene); and an NMDA antagonist containing it as an active ingredient thereof.

  提供的化合物是NMDA受体拮抗剂，具有广泛的安全边界，并可用作治疗或预防阿尔茨海默病、脑血管性痴呆、帕金森病、缺血性卒中、疼痛等药物。具体提供的是胺衍生物或其盐，其特点在于其中含有胺基结构A，通过X1（键或低碳烷基）与2-或3-环状紧缩环（例如茚烷、四氢萘酮、4,5,6,7-四氢苯并噻吩、4,5,6,7-四氢苯并呋喃、7,8-二氢-6H-茚并[4,5-b]呋喃、2,3-二氢-1H-环戊[1]萘烷）结合；以及含有它作为有效成分的NMDA受体拮抗剂。
• CYCLIC AMINE DERIVATIVE OR SALT THEREOF
  申请人：Astellas Pharma Inc.

  公开号：EP1795524A1

  公开（公告）日：2007-06-13

  Provided are compounds which are an NMDA antagonist having a broad safety margin and are useful as a treating agent or a preventing agent for Alzheimer's disease, cerebrovascular dementia, Parkinson's disease, ischemic apoplexy, pain, etc. Concretely provided are an amine derivative or its salt characterized in that the amine-containing structure A therein bonds to a 2- or 3-cyclic condensed ring (e.g., indane, tetralone, 4,5,6,7-tetrahydrobenzothiophene, 4,5,6,7-tetrahydrobenzofuran, 7,8-dihydro-6H-indeno[4,5-b]furan, 2,3-dihydro-1H-cyclopenta[1]naphthalene) via X1 (bond or lower alkylene); and an NMDA antagonist containing it as an active ingredient thereof.

  本发明提供的化合物是一种具有广泛安全范围的 NMDA 拮抗剂，可作为阿尔茨海默病、脑血管痴呆症、帕金森病、缺血性脑中风、疼痛等的治疗剂或预防剂。具体而言，提供了一种胺衍生物或其盐，其特征在于其中的含胺结构 A 与 2-或 3-环缩合环（如茚满、四烯酮、4-环缩合环、5-环缩合环、6-环缩合环、7-环缩合环、8-环缩合环、9-环缩合环）结合、茚、四酮、4,5,6,7-四氢苯并噻吩、4,5,6,7-四氢苯并呋喃、7,8-二氢-6H-茚并[4,5-b]呋喃、2,3-二氢-1H-环戊并[1]萘）通过 X1（键或低级亚烷基）结合；以及含有它作为其活性成分的 NMDA 拮抗剂。