ethyl 5-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine-8-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: ethyl 5-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine-8-carboxylate
• 英文别名: Ethyl 5-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxylate；ethyl 5-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxylate
• 化学式: C₁₃H₁₇NO₃
• 分子量: 235.283
• InChiKey: BJQVHIDMSCUNEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tetrahydro-2H-pyran-3-carboxylic acid 、 ethyl 5-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine-8-carboxylate 在 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 ethyl 5-methyl-4-(tetrahydro-2H-pyran-3-carbonyl)-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine-8-carboxylate
  参考文献：
  名称：

  3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS

  摘要：

  本公开涉及抑制锌依赖性组蛋白去乙酰化酶（HDACs）的抑制剂，用于治疗与HDAC（例如HDAC6）相关的疾病或疾病，其具有以下式I： 其中R、L、X1、X2、X3、X4、Y1、Y2、Y3和Y4如本文所述。

  公开号：

  US20160222028A1

文献信息

• 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS
  申请人：Forma Therapeutics, Inc.

  公开号：US20160221972A1

  公开（公告）日：2016-08-04

  The present disclosure relates to inhibitors of zinc-dependent histone deacetylases (HDACs) useful in the treatment of diseases or disorders associated with an HDAC, e.g., HDAC6, having a Formula I: where R, L, X 1 , X 2 , X 3 , X 4 , Y 1 , Y 2 , Y 3 , and Y 4 are described herein.

  本公开涉及抑制锌依赖性组蛋白去乙酰化酶（HDACs）的抑制剂，用于治疗与HDAC相关的疾病或障碍，例如HDAC6，其具有公式I：其中R，L，X1，X2，X3，X4，Y1，Y2，Y3和Y4如本文所述。
• 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors
  申请人：FORMA Therapeutics, Inc.

  公开号：US10414738B2

  公开（公告）日：2019-09-17

  The present disclosure relates to inhibitors of zinc-dependent histone deacetylases (HDACs) useful in the treatment of diseases or disorders associated with an HDAC, e.g., HDAC6, having a Formula I: where R, L, X1, X2, X3, X4, Y1, Y2, Y3, and Y4 are described herein.

  本公开涉及锌依赖性组蛋白去乙酰化酶（HDAC）的抑制剂，可用于治疗与具有式I的HDAC（如HDAC6）相关的疾病或紊乱： 其中 R、L、X1、X2、X3、X4、Y1、Y2、Y3 和 Y4 在本文中描述。
• 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors
  申请人：FORMA Therapeutics, Inc.

  公开号：US10421732B2

  公开（公告）日：2019-09-24

  The present disclosure relates to inhibitors of zinc-dependent histone deacetylases (HDACs) useful in the treatment of diseases or disorders associated with an HDAC, e.g., HDAC6, having a Formula I: where R, L, X1, X2, X3, X4, Y1, Y2, Y3, and Y4 are described herein.

  本公开涉及锌依赖性组蛋白去乙酰化酶（HDAC）的抑制剂，可用于治疗与具有式I的HDAC（如HDAC6）相关的疾病或紊乱： 其中 R、L、X1、X2、X3、X4、Y1、Y2、Y3 和 Y4 在本文中描述。
• [EN] 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS<br/>[FR] ACIDES 3-ALKYL-4-AMIDO-BICYCLIQUES [4,5,0] HYDROXAMIQUES UTILISÉS EN TANT QU'INHIBITEURS DE HDAC
  申请人：FORMA THERAPEUTICS INC

  公开号：WO2016126725A1

  公开（公告）日：2016-08-11

  The present disclosure relates to inhibitors of zinc-dependent histone deacetylases (HDACs) useful in the treatment of diseases or disorders associated with an HDAC, e.g., HDAC6, having a Formula I:, where R, L, X1, X2, X3, X4, Y1, Y2, Y3, and Y4 are described herein.
• [EN] 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS<br/>[FR] ACIDES 3-ALKYL BICYCLO[4,5,0]HYDROXAMIQUES EN TANT QU'INHIBITEURS DES HDAC
  申请人：FORMA THERAPEUTICS INC

  公开号：WO2016126722A1

  公开（公告）日：2016-08-11

  The present disclosure relates to inhibitors of zinc-dependent histone deacetylases (HDACs) useful in the treatment of diseases or disorders associated with an HDAC, e.g., HDAC6, having a Formula I: (Formula I should be inserted here) where R, L, X1, X2, X3, X4, Y1, Y2, Y3, and Y4 are described herein