N⁴-cyclohexyl-5-(1-methyl-1H-pyrazol-4-yl)-N²-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4-diamine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N⁴-cyclohexyl-5-(1-methyl-1H-pyrazol-4-yl)-N²-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4-diamine
• 英文别名: 4-N-cyclohexyl-5-(1-methylpyrazol-4-yl)-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
• 化学式: C₂₁H₂₇N₇
• 分子量: 377.492
• InChiKey: INIQLLFRTYKUFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  80.6
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-溴-2-氯-N-环己基嘧啶-4-胺 在 palladium bis[bis(diphenylphosphino)ferrocene] dichloride 、 potassium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 33.0h， 生成 N⁴-cyclohexyl-5-(1-methyl-1H-pyrazol-4-yl)-N²-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4-diamine
  参考文献：
  名称：

  作为选择性 Tyro3 激酶抑制剂的新型 2,4-二氨基-5-吡唑-4-基嘧啶衍生物的设计与合成

  摘要：

  DOI：

  10.1002/bkcs.11541

文献信息

• Pyrimidine derivative compound, optical isomer thereof, or pharmaceutically acceptable salt thereof, and composition for preventing or treating Tyro 3 related disease comprising same as active ingredient
  申请人：KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

  公开号：US11053225B2

  公开（公告）日：2021-07-06

  A pyrimidine derivative compound of Chemical Formula 1, an optical isomer thereof, or a pharmaceutically acceptable salt thereof, and a composition for preventing or treating cancer comprising the same as an active ingredient. The pyrimidine derivative compound of Chemical Formula 1, the optical isomer thereof, or the pharmaceutically acceptable salt thereof has an excellent selective inhibitory effect especially against TYRO 3 among TAM receptor inhibitory effects, and thus can be used as an excellent composition of preventing or treating cancer without adverse effects resulting from the inhibition of Axl and Mer.

  一种化学式 1 的嘧啶衍生物化合物、其光学异构体或其药学上可接受的盐，以及一种以其为活性成分的预防或治疗癌症的组合物。化学式 1 的嘧啶衍生物化合物、其光学异构体或其药学上可接受的盐具有极佳的选择性抑制作用，特别是对 TAM 受体抑制作用中的 TYRO 3，因此可用作预防或治疗癌症的极佳组合物，而不会因抑制 Axl 和 Mer 而产生不良反应。
• EP3620457A1
  申请人：——

  公开号：EP3620457A1

  公开（公告）日：2020-03-11
• PYRIMIDINE DERIVATIVE COMPOUND, OPTICAL ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING TYRO 3 RELATED DISEASE COMPRISING SAME AS ACTIVE INGREDIENT
  申请人：KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

  公开号：US20200087286A1

  公开（公告）日：2020-03-19

  The present invention relates to a pyrimidine derivative compound, an optical isomer thereof, or a pharmaceutically acceptable salt thereof, and a composition for preventing or treating cancer comprising the same as an active ingredient. The pyrimidine derivative compound, the optical isomer thereof, or the pharmaceutically acceptable salt thereof according to the present invention has an excellent selective inhibitory effect especially against TYRO 3 among TAM receptor inhibitory effects, and thus can be used as an excellent composition of preventing or treating cancer without adverse effects resulting from the inhibition of Axl and Mer.
• Design and Synthesis of Novel 2,4-Diamino-5-pyrazol-4-yl Pyrimidine Derivatives as Selective Tyro3 Kinase Inhibitors
  作者：Dukwoon Kim、Kyung Won Lee、Hyunseok Jung、Miok Kim、Joo-Youn Lee、Yeonkyung Lee、Jong Yeon Hwang、Youngki Min、Chang Hoon Lee、Sung Yun Cho

  DOI：10.1002/bkcs.11541

  日期：2018.9