甲磺酸氟马替尼 | 895519-91-2

• 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: 甲磺酸氟马替尼
• 中文别名: 豪森昕福；甲磺酸氟马替尼/氟马替尼；氟马替尼
• 英文名称: Flumatinib mesylate
• 英文别名: N-(6-methyl-5-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}pyridin-3-yl)-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide methanesulfonate；3-trifluoromethyl-4-(4-methylpiperazin-1-ylmethyl)-N-[2-methyl-3-(4-pyridin-3-yl)pyrimidin-2-ylamino-pyridin-5-yl]benzamide mesylate；4-[(4-methylpiperazin-1-yl)methyl]-N-{6-methyl-5-[(4-(pyrid-3-yl)pyrimid-2-yl)amino]pyrid-3-yl}-3-(trifluoromethyl)benzamide methanesulfonate；methanesulfonic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridin-3-yl]-3-(trifluoromethyl)benzamide
• CAS: 895519-91-2
• 化学式: CH₄O₃S*C₂₉H₂₉F₃N₈O
• 分子量: 658.704
• InChiKey: ZSASDYCFROUKTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.51
• 重原子数：
  46
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  162
• 氢给体数：
  3
• 氢受体数：
  14

安全信息

• 储存条件：
  2-8℃

制备方法与用途

氟卢替尼（HH-GV-678）甲磺酸盐是伊马替尼的一种衍生物，是一种多靶点激酶抑制剂，对c-Abl、PDGFRβ 和 c-Kit 的 IC50 分别为 1.2 nM、307.6 nM 和 2662 nM。

反应信息

• 作为产物：
  描述：

  4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzoyl chloride 、 N-(2-methyl-5-aminopyridin-3-yl)-4-(pyridin-3-yl)pyrimidin-2-amine 、 甲烷磺酸 在 吡啶 作用下， 以 水 为溶剂， 以2.5 g的产率得到甲磺酸氟马替尼
  参考文献：
  名称：

  Synthesis, Crystal Structure, and Spectral Characterization of Flumatinib Mesylate

  摘要：

  Flumatinib mesylate, a 3-substituted picolinamide derivative structurally similar to imatinib mesylate, was prepared. The compound was characterized by infrared, ultraviolet, NMR, and electrospray ionization-mass spectra together with x-ray crystal structure analysis.

  DOI：

  10.1080/00397910903289248

文献信息

• Aminopyrimidine Compounds and Their Salts, Process for Preparation and Pharmaceutical Use Thereof
  申请人：Sun Piaoyang

  公开号：US20080312251A1

  公开（公告）日：2008-12-18

  The present invention provides aminopyrimidine compounds of formula (I) and their salts, wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , Q, Z, L, m, n are defined as the description, the methods for preparation thereof, the uses thereof and the pharmaceutical compositions comprising the effective amount of compounds of formula (I). The compounds of formula (I) and their salts can be used as protein kinase inhibitors.

  本发明提供了式（I）的氨基嘧啶化合物及其盐，其中R1，R2，R3，R4，R5，R6，Q，Z，L，m，n如所述，其制备方法，其用途以及包含式（I）化合物的有效量的药物组合物。式（I）的化合物及其盐可用作蛋白激酶抑制剂。
• COMPOUNDS FOR THE TREATMENT OF COVID-19
  申请人：Dompe' Farmaceutici S.P.A.

  公开号：EP3875078A1

  公开（公告）日：2021-09-08

  The present invention relates to compounds that are able to inhibt 3CL protease of COVID-19 virus, SARS-Cov-2

  本发明涉及能够抑制 COVID-19 病毒、SARS-Cov-2 病毒的 3CL 蛋白酶的化合物。
• AMINOPYRIMIDINE COMPOUNDS AND THEIR SALTS, PROCESS FOR PREPARATION AND PHARMACEUTICAL USE THEREOF
  申请人：Sun, Piaoyang

  公开号：EP1840122B1

  公开（公告）日：2013-08-28
• US8183242B2
  申请人：——

  公开号：US8183242B2

  公开（公告）日：2012-05-22
• Synthesis, Crystal Structure, and Spectral Characterization of Flumatinib Mesylate
  作者：Gang Xu、Hong Shen、Taifeng Tong、Aifeng Lu、Shaohua Gou

  DOI：10.1080/00397910903289248

  日期：2010.8.5

  Flumatinib mesylate, a 3-substituted picolinamide derivative structurally similar to imatinib mesylate, was prepared. The compound was characterized by infrared, ultraviolet, NMR, and electrospray ionization-mass spectra together with x-ray crystal structure analysis.