1-[(2-Oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxylic acid | 927869-67-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 1-[(2-Oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxylic acid
• CAS: 927869-67-8
• 化学式: C₁₆H₂₀N₂O₅S
• 分子量: 352.411
• InChiKey: ZIZWIRIGNYCPKA-UHFFFAOYSA-N

物化性质

• 熔点：
  270-273 °C(Solv: acetonitrile (75-05-8))
• 密度：
  1.386±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-[(2-Oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxylic acid 、 环丙胺 在 N,N'-羰基二咪唑 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以50%的产率得到N-cyclopropyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide
  参考文献：
  名称：

  Synthesis of 7‐Sulfamoyl‐substituted 2‐Oxo‐2,3,4,5‐tetrahydro‐1H‐benzo[b]azepines

  摘要：

  Sulfochlorination of 2-oxo-2,3,4,5-tetrahydro-1H-benzo[b] azepine led to regioselective formation of the corresponding 7-chlorosulfonyl derivative. Starting from this reagent, a large number of substituted 2-oxo-7-sulfamoyl- 2,3,4,5-tetrahydro-1H-benzo[ b] azepines were obtained. This approach is amenable to combinatorial production of the title compounds, which possess promising therapeutic potential.

  DOI：

  10.1080/00397910600943493
• 作为产物：
  描述：

  1,3,4,5-四氢-2H-1-苯并氮杂卓-2-酮 在 氯磺酸 、 sodium hydroxide 、 三乙胺 作用下， 以 四氯化碳 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 19.0h， 生成 1-[(2-Oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxylic acid
  参考文献：
  名称：

  Synthesis of 7‐Sulfamoyl‐substituted 2‐Oxo‐2,3,4,5‐tetrahydro‐1H‐benzo[b]azepines

  摘要：

  Sulfochlorination of 2-oxo-2,3,4,5-tetrahydro-1H-benzo[b] azepine led to regioselective formation of the corresponding 7-chlorosulfonyl derivative. Starting from this reagent, a large number of substituted 2-oxo-7-sulfamoyl- 2,3,4,5-tetrahydro-1H-benzo[ b] azepines were obtained. This approach is amenable to combinatorial production of the title compounds, which possess promising therapeutic potential.

  DOI：

  10.1080/00397910600943493

文献信息

• Xanthine derivatives and uses thereof as inhibitors of bromodomains of BET proteins
  申请人：Centre national de la recherche scientifique

  公开号：US11180510B2

  公开（公告）日：2021-11-23

  The present invention relates to a compound having the following formula (I): (I) wherein: —R is a (C1-C6)alkyl group; —R″ is preferably H; —Ar is a (C5-C12)arylene radical; —X1 is —C(═O)—or —SO2—; and —R′ is chosen from the group consisting of possibly substituted (C1-C6)alkyl, heteroaryl, (C5-C12)aryl, and (hetero)cycloalkyl groups, or a pharmaceutically acceptable salt and/or tautomeric form thereof, or its racemates, diastereomers or enantiomers.

  本发明涉及一种具有下式(I)的化合物：(I) 其中-R是(C1-C6)烷基；-R″最好是H；-Ar是(C5-C12)芳基；-X1是-C(═O)-或-SO2-；以及-R′选自可能取代的(C1-C6)烷基、杂芳基、(C5-C12)芳基和(杂)环烷基组成的组，或其药学上可接受的盐和/或同分异构体形式，或其外消旋体、非对映异构体或对映体。
• XANTHINE DERIVATIVES AND USES THEREOF AS INHIBITORS OF BROMODOMAINS OF BET PROTEINS
  申请人：Centre National de la Recherche Scientifique

  公开号：EP3707139B1

  公开（公告）日：2022-02-16
• Synthesis of 7‐Sulfamoyl‐substituted 2‐Oxo‐2,3,4,5‐tetrahydro‐1<i>H</i>‐benzo[<i>b</i>]azepines
  作者：Mikhail V. Dorogov、Sergey A. Ivanovsky、Maria Y. Khakhina、Dmitry V. Kravchenko、Sergey E. Tkachenko、Alexandre V. Ivachtchenko

  DOI：10.1080/00397910600943493

  日期：2006.11.1

  Sulfochlorination of 2-oxo-2,3,4,5-tetrahydro-1H-benzo[b] azepine led to regioselective formation of the corresponding 7-chlorosulfonyl derivative. Starting from this reagent, a large number of substituted 2-oxo-7-sulfamoyl- 2,3,4,5-tetrahydro-1H-benzo[ b] azepines were obtained. This approach is amenable to combinatorial production of the title compounds, which possess promising therapeutic potential.