4,5-二氢-2,4-苯并氧氮杂卓-3(1H)-酮 | 39976-24-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 中文名称: 4,5-二氢-2,4-苯并氧氮杂卓-3(1H)-酮
• 中文别名: 4,5-二氢-2,4-苯并氮杂卓-3(1h)-酮
• 英文名称: 4,5-Dihydro-2,4-benzoxazepin-3(1H)-on
• 英文别名: 4,5-dihydro-1H-benzo[e][1,3]oxazepin-3-one；4,5-Dihydro-2,4-benzoxazepin-3(1H)-one；4,5-dihydro-1H-2,4-benzoxazepin-3-one
• CAS: 39976-24-4
• 化学式: C₉H₉NO₂
• 分子量: 163.176
• InChiKey: AALWJBPYOSUVOK-UHFFFAOYSA-N

物化性质

• 沸点：
  424.6±35.0 °C(Predicted)
• 密度：
  1.186

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,5-二氢-2,4-苯并氧氮杂卓-3(1H)-酮 、 乙酸酐 生成 N-Acetyl-4,5-dihydro-2,4-benzoxazepin-3(1H)-on
  参考文献：
  名称：

  Pifferi,G. et al., Journal of Heterocyclic Chemistry, 1972, vol. 9, p. 1209 - 1214

  摘要：

  DOI：
• 作为产物：
  描述：

  光气 、 2-(氨基甲基)苄醇 生成 4,5-二氢-2,4-苯并氧氮杂卓-3(1H)-酮
  参考文献：
  名称：

  Pifferi,G. et al., Journal of Heterocyclic Chemistry, 1972, vol. 9, p. 1209 - 1214

  摘要：

  DOI：

文献信息

• Indole and azaindole inhibitors of pad enzymes
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US11524959B1

  公开（公告）日：2022-12-13

  The present invention provides compounds of Formula (I) useful as inhibitors of PAD4, compositions thereof, and methods of treating PAD4-related disorders, wherein each of Ring A, L, Q, R1, R2, R3, R4, R7, and R8 along with other variables are as defined herein.

  本发明提供了用作 PAD4 抑制剂的式 (I) 化合物、其组合物以及治疗 PAD4 相关疾病的方法，其中环 A、L、Q、R1、R2、R3、R4、R7 和 R8 中的每一个以及其他变量如本文所定义。
• BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE
  申请人：Sumitomo Dainippon Pharma Co., Ltd.

  公开号：US20180194773A1

  公开（公告）日：2018-07-12

  The present invention provides a bicyclic heterocyclic amide derivative of formula (1) wherein ring Q 1 is optionally-substituted C 6-10 aryl group, etc.; R 1 and R 2 are independently hydrogen atom, etc.; W 1 is optionally-substituted C 1-4 alkylene group; W 2 is —NR 3a C(O)—, etc. wherein R 3a is hydrogen atom or C 1-6 alkyl group; Cy 1 is the following group of formula (11), etc.; ring Q 2 is optionally-substituted benzene ring, etc.; n and m are independently 0, 1 or 2, provided that n and m are not simultaneously 0; X is NR 5 , etc.; R 5 is hydrogen atom, etc.; p is 1, 2, 3, 4 or 5; R 4 is, independently when two or more exist, hydrogen atom, etc.; and a pharmacologically acceptable salt thereof, which have a potent inhibitory effect on the sphere-forming ability of cancer cells and are useful as an orally-available anti-tumor agent.
• SUBSTITUTED BENZIMIDAZOLES AS PAD4 INHIBITORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20220402950A1

  公开（公告）日：2022-12-22

  The present invention provides compounds of Formula (I): useful as inhibitors of PAD4, compositions thereof, and methods of treating PAD4-related disorders.
• Pifferi,G. et al., Journal of Heterocyclic Chemistry, 1972, vol. 9, p. 1209 - 1214
  作者：Pifferi,G. et al.

  DOI：——

  日期：——