2-喹唑啉甲腈,4-苯基- | 139474-21-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-喹唑啉甲腈,4-苯基-
• 英文名称: 2-Cyano-4-phenylquinazoline
• 英文别名: 4-Phenyl-2-quinazolinecarbonitrile；4-phenylquinazoline-2-carbonitrile
• CAS: 139474-21-8
• 化学式: C₁₅H₉N₃
• 分子量: 231.257
• InChiKey: HUKULNZYKALKNU-UHFFFAOYSA-N

物化性质

• 沸点：
  436.7±43.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  49.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氯-4-苯基喹唑啉 以 水 、 丙酮 为溶剂， 生成 2-喹唑啉甲腈,4-苯基-
  参考文献：
  名称：

  Hammett-Taft constants of substituted 2- and 4-quinazolinyl groups

  摘要：

  From the chemical shifts of the meta- and para-carbon atoms of the phenyl group in phenylquinazolines the sigma-I and sigma-R0 constants of 2- and 4-quinazolinyl groups were determined. Correlation equations which enable us to calculate the sigma-constants of various substituted 2- and 4-quinazolinyl groups are proposed.

  DOI：

  10.1007/bf00958004

文献信息

• Tyrosine kinase inhibitors
  申请人：Rigel Pharmaceuticals, Inc.

  公开号：US10851093B2

  公开（公告）日：2020-12-01

  Disclosed are imidazole compounds, as well as pharmaceutical compositions and methods of use thereof. One embodiment is a compound having the structure and pharmaceutically acceptable salts, prodrugs and N-oxides thereof (and solvates and hydrates thereof), wherein R1, X, Y1, Y2, Y3 and Z are as described herein. In certain embodiments, a compound disclosed herein inhibits a cellular TAM receptor, and can be used to treat disease mediated by or involving the TAM receptor family.

  所公开的是咪唑类化合物及其药物组合物和使用方法。其中一种化合物具有如下结构 及其药学上可接受的盐、原药和 N-氧化物（及其溶解物和水合物），其中 R1、X、Y1、Y2、Y3 和 Z 如本文所述。在某些实施方案中，本文公开的化合物可抑制细胞TAM受体，并可用于治疗由TAM受体家族介导或涉及TAM受体家族的疾病。
• A Facile Synthesis of N-Arylcyanoformamidoximes, 4-Aryl-3-cyano-1,2,4-oxadiazin-5(6H)-ones, 2-Cyanoquinazoline-3-oxides, and 2-Cyanoquinazolines via 5-Arylimino-4-chloro-5H-1,2,3-dithiazoles
  作者：Kyongtae Kim、Yong-Goo Chang

  DOI：10.3987/com-99-8666

  日期：——
• Preparation of Heteroarenecarbonitriles by Reaction of Heteroarene N-Oxides with Trimethylsilyl Cyanide in the Presence of DBU
  作者：Akira Miyashita、Touru Kawashima、Chihoko Iijima、Takeo Higashino

  DOI：10.3987/com-91-s12

  日期：——

  Several heteroarenecarbonitriles were prepared from the corresponding heteroarene N-oxides by treatment with trimethylsilyl cyanide (TMSCN) in the presence of a base in tetrahydrofuran (THF). 1,8-Diazabicyclo[5.4.0]-7-undecene (DBU) was found to be an effective base for the cyanation.
• QUINOLINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS
  申请人：Rigel Pharmaceuticals, Inc.

  公开号：EP3810596A1

  公开（公告）日：2021-04-28
• TYROSINE KINASE INHIBITORS
  申请人：Rigel Pharmaceuticals, Inc.

  公开号：US20210078990A1

  公开（公告）日：2021-03-18

  Disclosed are imidazole compounds, as well as pharmaceutical compositions and methods of use thereof. One embodiment is a compound having the structure and pharmaceutically acceptable salts, prodrugs and N-oxides thereof (and solvates and hydrates thereof), wherein R 1 , X, Y 1 , Y 2 , Y 3 and Z are as described herein. In certain embodiments, a compound disclosed herein inhibits a cellular TAM receptor, and can be used to treat disease mediated by or involving the TAM receptor family.