1-(tert-Butoxycarbonyl)-2,3,4,7-tetrahydro-1H-azepine-3-carboxylic acid | 1260786-00-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吖庚因类
• 英文名称: 1-(tert-Butoxycarbonyl)-2,3,4,7-tetrahydro-1H-azepine-3-carboxylic acid
• 英文别名: 1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,4,7-tetrahydroazepine-3-carboxylic acid
• CAS: 1260786-00-2
• 化学式: C₁₂H₁₉NO₄
• 分子量: 241.28
• InChiKey: XAOOALCEJMAQKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(tert-Butoxycarbonyl)-2,3,4,7-tetrahydro-1H-azepine-3-carboxylic acid 在 甲酸 、 N,N-二异丙基乙胺 、 O‐(1H‐benzotriazol‐1‐yl)‐N,N,N′,N′‐tetramethyluronium tetrafluoroborate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.25h， 生成 N-[(1S)-1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-2,3,4,7-tetrahydro-1H-azepine-3-carboxamide
  参考文献：
  名称：

  [EN] NOVEL DPP1 INHIBITORS AND USES THEREOF
  [FR] NOUVEAUX INHIBITEURS DE DPP1 ET LEURS UTILISATIONS

  摘要：

  Provided herein are novel DPP1 inhibitor compounds having the general structure of Formula (I), (II) or (III), or a pharmaceutically acceptable salt thereof. Also provided are certain methods of treatment, e.g., a method for treating an obstructive disease of the airway or a method of treating an inflammatory condition with a composition comprising an effective amount of one of the compounds provided herein.

  公开号：

  WO2024026433A2
• 作为产物：
  描述：

  ethyl 3-(allyl(tert-butoxycarbonyl)amino)propanoate 在 Grubbs catalyst first generation 、 lithium hydroxide monohydrate 、 水 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 41.0h， 生成 1-(tert-Butoxycarbonyl)-2,3,4,7-tetrahydro-1H-azepine-3-carboxylic acid
  参考文献：
  名称：

  [EN] NOVEL DPP1 INHIBITORS AND USES THEREOF
  [FR] NOUVEAUX INHIBITEURS DE DPP1 ET LEURS UTILISATIONS

  摘要：

  Provided herein are novel DPP1 inhibitor compounds having the general structure of Formula (I), (II) or (III), or a pharmaceutically acceptable salt thereof. Also provided are certain methods of treatment, e.g., a method for treating an obstructive disease of the airway or a method of treating an inflammatory condition with a composition comprising an effective amount of one of the compounds provided herein.

  公开号：

  WO2024026433A2

文献信息

• [EN] NOVEL DPP1 INHIBITORS AND USES THEREOF<br/>[FR] NOUVEAUX INHIBITEURS DE DPP1 ET LEURS UTILISATIONS
  申请人：[en]INSMED INCORPORATED

  公开号：WO2024026433A2

  公开（公告）日：2024-02-01

  Provided herein are novel DPP1 inhibitor compounds having the general structure of Formula (I), (II) or (III), or a pharmaceutically acceptable salt thereof. Also provided are certain methods of treatment, e.g., a method for treating an obstructive disease of the airway or a method of treating an inflammatory condition with a composition comprising an effective amount of one of the compounds provided herein.