5-Methoxy-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indole-6-carbaldehyde | 306970-01-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 5-Methoxy-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indole-6-carbaldehyde
• 英文别名: 5-methoxy-3,3-dimethyl-2-oxo-1H-indole-6-carbaldehyde
• CAS: 306970-01-4
• 化学式: C₁₂H₁₃NO₃
• 分子量: 219.24
• InChiKey: UUOWBSVKUNONTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Substituted benzolactam compounds
  申请人：——

  公开号：US20030105124A1

  公开（公告）日：2003-06-05

  This invention relates to compounds of the general formula (1): 1 or a pharmaceutically acceptable salt thereof, W, T, Y, X, Q, R 1 , R 2 , and R 3 are defined herein. This invention also relates to compounds of the formula I, depicted above, wherein Y is —NH—; T is (2S,3S)-2-phenylpiperidin-3-yl, where the phenyl group of said (2S, 3S)-2-phenylpiperidine-3-yl may optionally be substituted with fluoro; Q is oxygen and is double bonded to the carbon atom to which it is attached, X is methoxy or ethoxy, R 1 is hydrogen, methyl or halo-C 1 -C 2 alkyl, W is methylene, ethylene or vinylene; R 2 and R 3 are independently hydrogen or methyl, or one of R 2 or R 3 may be hydroxy, when W is ethylene, R 2 and R 3 are both methyl, when W is methylene, and R 2 and R 3 are both hydrogen, when W is vinylene. The invention is further directed to methods of treating various CNS and other disorders using said compounds and pharmaceutical compositions thereof.

  这项发明涉及通式（1）：1的化合物或其药学上可接受的盐，其中W、T、Y、X、Q、R1、R2和R3的定义如本文所述。本发明还涉及上述示出的通式I的化合物，其中Y为—NH—；T为（2S,3S）-2-苯基哌啶-3-基，其中所述（2S,3S）-2-苯基哌啶-3-基的苯基可以选择地被氟取代；Q为氧并与其连接的碳原子双键结合，X为甲氧基或乙氧基，R1为氢、甲基或卤代-C1-C2烷基，W为亚甲基、乙烯基或乙烯基；R2和R3独立地为氢或甲基，或R2或R3中的一个可能为羟基，当W为乙烯基时，R2和R3均为甲基，当W为亚甲基时，R2和R3均为氢，当W为乙烯基时，R2和R3均为氢。该发明进一步涉及使用上述化合物及其药物组成物治疗各种中枢神经系统和其他疾病的方法。
• SUBSTITUTED BENZOLACTAM COMPOUNDS
  申请人：Pfizer Products Inc.

  公开号：EP1175417B1

  公开（公告）日：2004-01-07
• JP2002544128A
  申请人：——

  公开号：JP2002544128A

  公开（公告）日：2002-12-24
• [EN] SUBSTITUTED BENZOLACTAM COMPOUNDS<br/>[FR] COMPOSES DE BENZOLACTAME SUBSTITUES
  申请人：PFIZER PROD INC

  公开号：WO2000068224A1

  公开（公告）日：2000-11-16

  This invention relates to compounds of general formula (I): or a pharmaceutically acceptable salt thereof, W, T, Y, X, Q, R?1, R2, and R3¿ are defined herein. This invention also relates to compounds of formula (I), depicted above, wherein Y is -NH-; T is (2S,3S)-2-phenylpiperidin-3-yl, where the phenyl group of said (2S, 3S)-2-phenylpiperidine-3-yl may optionally be substituted with fluoro; Q is oxygen and is double bonded to the carbon atom to which it is attached, X is methoxy or ethoxy, R1 is hydrogen, methyl or halo-C¿1?-C2 alkyl, W is methylene, ethylene or vinylene; R?2 and R3¿ are independently hydrogen or methyl, or one of R2 or R3 may be hydroxy, when W is ethylene, R?2 and R3¿ are both methyl, when W is methylene, and R?2 and R3¿ are both hydrogen, when W is vinylene. The invention is further directed to methods of treating various CNS and other disorders using said compounds and pharmaceutical compositions thereof.