1-(1-Ethyl-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 哈马拉生物碱
• 英文名称: 1-(1-Ethyl-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one
• 英文别名: 1-(1-ethyl-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one
• 化学式: C₂₆H₂₇N₃O₂
• 分子量: 413.5
• InChiKey: LQGFPXJOUQULOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES
  申请人：Albany Molecular Research, Inc.

  公开号：US20140206696A1

  公开（公告）日：2014-07-24

  Substituted pyridoindoles for incorporation in pharmaceutical compositions employed in the treatment of various diseases correspond to formula (I) wherein R 1 is H or optionally substituted alkyl; R 2 , R 3 , R 4 are each independently selected from H, —O-alkyl, —S-alkyl, alkyl, halo, —CF 3 , and —CN; G is —CR 12 R 13 —NR 5 — or —NR 5 —CR 12 R 13 ; R 5 is H, optionally substituted alkyl, optionally substituted heterocycle, —C(═O)—R 6 , —C(═O)—O—R 7 , or —C(═O)—NR 19 R 20 ; R 6 and R 7 are each optionally substituted alkyl or optionally substituted heterocycle; R 8 , R 9 , R 10 , R 11 , R 12 , R 13 , R 19 and R 20 are each independently selected from H or optionally substituted alkyl; R 14 and R 15 are each independently H or halogen; L is —CH 2 —O—, —CH 2 CH 2 —, —CH═CH— or a bond; and B is aryl or heteroaryl or cycloalkyl; with the proviso that, when L is a direct bond, B cannot be unsubstituted heteroaryl or heteroaryl monosubstituted with fluorine.

  用于治疗各种疾病的药物组合物中的取代吡啶吲哚对应于公式（I），其中R1为H或可选取代烷基；R2、R3、R4分别选自H、—O-烷基、—S-烷基、烷基、卤素、—CF3和—CN；G为—CR12R13—NR5—或—NR5—CR12R13；R5为H、可选取代烷基、可选取代杂环、—C（═O）—R6、—C（═O）—O—R7或—C（═O）—NR19R20；R6和R7分别为可选取代烷基或可选取代杂环；R8、R9、R10、R11、R12、R13、R19和R20分别选自H或可选取代烷基；R14和R15各自为H或卤素；L为—CH2—O—、—CH2CH2—、—CH═CH—或一个键；B为芳基或杂芳基或环烷基；但当L为直接键时，B不能是未取代的杂芳基或单取代氟的杂芳基。
• US9296743B2
  申请人：——

  公开号：US9296743B2

  公开（公告）日：2016-03-29
• US9650378B2
  申请人：——

  公开号：US9650378B2

  公开（公告）日：2017-05-16