N,N,N-trimethyl-3-{[(1-methyl-9-{[3-(trifluoromethyl)phenyl]amino}-1,4,5,6-tetrahydropyrazolo[4',3':6,7]cyclohepta[1,2-d]pyrimidin-3-yl)carbonyl]amino}propan-1-aminium trifluoroacetate | 1392050-18-8

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: N,N,N-trimethyl-3-{[(1-methyl-9-{[3-(trifluoromethyl)phenyl]amino}-1,4,5,6-tetrahydropyrazolo[4',3':6,7]cyclohepta[1,2-d]pyrimidin-3-yl)carbonyl]amino}propan-1-aminium trifluoroacetate
• 英文别名: N,N,N-trimethyl-3-{[(1-methyl-9-{[3-(trifluoromethyl)phenyl]amino}-1,4,5,6-tetrahydropyrazolo[4',3':6,7]cyclohepta[1,2-d]pyrimidin-3-yl)carbonyl]amino}propan-1-aminium monotrifluoroacetate；2,2,2-Trifluoroacetate;trimethyl-[3-[[3-methyl-13-[3-(trifluoromethyl)anilino]-3,4,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-5-carbonyl]amino]propyl]azanium
• CAS: 1392050-18-8
• 化学式: C₂F₃O₂*C₂₅H₃₁F₃N₇O
• 分子量: 615.579
• InChiKey: SABYIMNAXDXCCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.25
• 重原子数：
  43
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  125
• 氢给体数：
  2
• 氢受体数：
  13

文献信息

• TRICYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS
  申请人：Caldarelli Marina

  公开号：US20130302416A1

  公开（公告）日：2013-11-14

  New substituted tricyclic compounds of formula (I) are described, wherein R1, R2, X, Y, Z are herein defined, having protein kinase inhibiting activity. The invention includes methods to prepare the compounds of formula (I), pharmaceutical compositions containing them, and their use in therapy, in particular for the treatment of diseases caused by and/or associated with dysregulated activity of protein kinase.

  描述了一种新的取代杂三环化合物，其化学式为（I），其中R1、R2、X、Y、Z如所定义，在蛋白激酶抑制活性方面具有作用。该发明包括制备化合物（I）的方法、含有它们的药物组合物以及它们在治疗中的应用，特别是用于治疗由蛋白激酶活性失调引起和/或相关的疾病。
• US8916577B2
  申请人：——

  公开号：US8916577B2

  公开（公告）日：2014-12-23