7-nitro-4-oxo-4H-3,1-benzoxazine | 153702-67-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 7-nitro-4-oxo-4H-3,1-benzoxazine
• 英文别名: 7-nitro-3,1-benzoxazin-4-one
• CAS: 153702-67-1
• 化学式: C₈H₄N₂O₄
• 分子量: 192.131
• InChiKey: HSVNFUBGPAYPPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  84.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  7-nitro-4-oxo-4H-3,1-benzoxazine 在 palladium on activated charcoal 氢气 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 25.0 ℃ 、166.71 kPa 条件下， 反应 5.0h， 生成 7-amino-3-(4-methoxyphenyl)quinazolin-4-one
  参考文献：
  名称：

  Design of Antineoplastic Agents on the Basis of the "2-Phenylnaphthalene-Type" Structural Pattern. I. Synthesis of Substituted 3-Phenylquinazolones, Benzoxazolo[2,3-b]quinazolones and Benzothiazolo[2,3-b]quinazolones

  摘要：

  A number of substituted 3-phenylquinazolin-4-ones, 12H-benzoxazolo-[2,3-b]quniazolin-12-ones and 12H-benzothiazolo[2,3-b]quinazolin-12-ones were designed and synthesized on the basis of a ''2-phenylnaphthalene-type'' structural pattern hypothesis. The postulated pattern, which was uncovered among a substantial number of compounds of both natural and synthetic origins, was noted to be associated with compounds possessing a variety of biological properties which include the antineoplastic activity. Several compounds designed for the present study were found to exhibit potent cytotoxicity against the growth of human promyelocytic leukemia (HL-60) cells.

  DOI：

  10.3987/com-92-s(t)51
• 作为产物：
  描述：

  2-氨基甲酰基-4-硝基苯甲酸 在 盐酸 、 氢氧化钾 、 溴 作用下， 反应 49.5h， 生成 7-nitro-4-oxo-4H-3,1-benzoxazine
  参考文献：
  名称：

  Design of Antineoplastic Agents on the Basis of the "2-Phenylnaphthalene-Type" Structural Pattern. I. Synthesis of Substituted 3-Phenylquinazolones, Benzoxazolo[2,3-b]quinazolones and Benzothiazolo[2,3-b]quinazolones

  摘要：

  A number of substituted 3-phenylquinazolin-4-ones, 12H-benzoxazolo-[2,3-b]quniazolin-12-ones and 12H-benzothiazolo[2,3-b]quinazolin-12-ones were designed and synthesized on the basis of a ''2-phenylnaphthalene-type'' structural pattern hypothesis. The postulated pattern, which was uncovered among a substantial number of compounds of both natural and synthetic origins, was noted to be associated with compounds possessing a variety of biological properties which include the antineoplastic activity. Several compounds designed for the present study were found to exhibit potent cytotoxicity against the growth of human promyelocytic leukemia (HL-60) cells.

  DOI：

  10.3987/com-92-s(t)51

文献信息

• AHR INHIBITORS AND USES THEREOF
  申请人：Kyn Therapeutics

  公开号：US20190055218A1

  公开（公告）日：2019-02-21

  The present invention provides compounds useful as inhibitors of AHR, compositions thereof, and methods of using the same.

  本发明提供了作为AHR抑制剂有用的化合物，其组成物以及使用这些化合物的方法。
• AHR inhibitors and uses thereof
  申请人：Kyn Therapeutics

  公开号：US10696650B2

  公开（公告）日：2020-06-30

  The present invention provides compounds useful as inhibitors of AHR, compositions thereof, and methods of using the same.

  本发明提供了可用作 AHR 抑制剂的化合物、其组合物及其使用方法。
• [EN] AHR INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS D'AHR ET LEURS UTILISATIONS
  申请人：KYN THERAPEUTICS

  公开号：WO2019036657A1

  公开（公告）日：2019-02-21

  The present invention provides compounds useful as inhibitors of AHR, compositions thereof, and methods of using the same.