(9-chloro-1,2,4,5-tetrahydroazepino[4,5-b]indol-3(6H)-yl)(phenyl)methanone | 303801-73-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - Pyrroloazepines
• 英文名称: (9-chloro-1,2,4,5-tetrahydroazepino[4,5-b]indol-3(6H)-yl)(phenyl)methanone
• 英文别名: 3-benzoyl-9-chloro-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole；(9-chloro-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)-phenylmethanone
• CAS: 303801-73-2
• 化学式: C₁₉H₁₇ClN₂O
• 分子量: 324.81
• InChiKey: CAMOUYFWHZXEQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  36.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (9-chloro-1,2,4,5-tetrahydroazepino[4,5-b]indol-3(6H)-yl)(phenyl)methanone 生成 2-chloro-5,6,9,10,11,12-hexahydro-4H,8H-azepino[4',5':4,5]pyrrolo[3,2,1-ij]quinolin-4-one maleate
  参考文献：
  名称：

  Tetracyclic azepinoindole compounds

  摘要：

  本发明提供了公式I的化合物：其中R1、R2、X和Y具有规范中定义的任何值，以及包括这些化合物的药物组合物。该发明还提供了治疗方法，以及用于制备公式（I）化合物的过程和中间体。

  公开号：

  US06407092B1
• 作为产物：
  描述：

  苯甲酰氯 在 溶剂黄146 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 17.0h， 生成 (9-chloro-1,2,4,5-tetrahydroazepino[4,5-b]indol-3(6H)-yl)(phenyl)methanone
  参考文献：
  名称：

  WO2020037155A5

  摘要：

  公开号：

  WO2020037155A5

文献信息

• TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS
  申请人：PHARMACIA & UPJOHN COMPANY

  公开号：EP1173440B1

  公开（公告）日：2004-09-15
• 1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOLE DERIVATIVE COMPOUNDS AND USES THEREOF
  申请人：Recreo Pharmaceuticals LLC

  公开号：US20210163479A1

  公开（公告）日：2021-06-03

  The present invention provides 1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole derivative compounds and uses thereof. In particular, compounds of the invention are of the formula: where n is an integer from 0-4; each of z, a1, a2, a3, a4, and a5 is independently 0 or 1, provided at least one of a1-a5 is 1; Ar 1 is phenyl or a nitrogen atom containing 6-membered heteroaryl; Cyc 1 is 5, 6, or 7-membered nitrogen atom containing heterocyclyl optionally containing one to three additional substituents in addition to R 2a and R 2b ; X 1 is —C(═O)—, —C(═O)—NR 6 —, or —SO 2 —NH—; each of R 1a and R 1c is independently C 1 -C 6 alkylene; R 1b is optionally substituted C 1 -C 6 alkylene; X 2 is O or NR 6 ; each R 1 is independently halogen, optionally substituted C 1 -C 6 alkyl, optionally substituted C 1 -C 6 haloalkyl, optionally substituted cycloalkyl, optionally substituted heterocyclyl, —OR a , or NR b R c , where R a hydrogen, C 1 -C 6 alkyl, C 1 -C 6 haloalkyl, or a hydroxyl protecting group, and wherein each of R b and R c is independently hydrogen, C 1 -C 6 alkyl, C 1 -C 6 haloalkyl, optionally substituted cycloalkyl, optionally substituted heterocyclyl, or a nitrogen protecting group; each of R 2a and R 2b is independently hydrogen, halogen, optionally substituted C 1 -C 6 alkyl, optionally substituted C 1 -C 6 haloalkyl, optionally substituted cycloalkyl, optionally substituted heterocyclyl, —OR a , or —NR b R c , where R a hydrogen, C 1 -C 6 alkyl, C 1 -C 6 haloalkyl, or a hydroxyl protecting group, and wherein each of R b and R c is independently hydrogen, C 1 -C 6 alkyl, C 1 -C 6 haloalkyl, optionally substituted cycloalkyl, optionally substituted heterocyclyl, or a nitrogen protecting group, or R 2a and R 2b together with the carbon atom to which they are attached to form a cycloalkyl group; and Q is an optionally substituted aryl, optionally substituted heteroaryl, or optionally substituted C 3 -C 8 cycloalkyl.
• US6407092B1
  申请人：——

  公开号：US6407092B1

  公开（公告）日：2002-06-18
• US6875762B2
  申请人：——

  公开号：US6875762B2

  公开（公告）日：2005-04-05
• [EN] TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS<br/>[FR] COMPOSES D'AZEPINOINDOLE TETRACYCLIQUE UTILISES COMME LIGANDS RECEPTEURS DE 5-HT
  申请人：UPJOHN CO

  公开号：WO2000064899A1

  公开（公告）日：2000-11-02

  The present invention provides compounds of formula (I), wherein R2 is hydrogen, C1-7alkyl, C1-7alkanoyl, arylcarbonyl, aryl, (aryl)C1-7alkyl, C1-7alkoxycarbonyl, aryloxycarbonyl, arylsulfonyl, or (aryl)C1-7alkoxycarbonyl; X and Y together are 2, 3 or 4 membered saturated or partially unsaturated chain. These compounds are 5-HT ligands, and are useful for treating diseases wherein modulation of 5-HT activity is desired.