N-(3-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-4-methyl-3-(2-(pyrazolo[1,5-a]pyrimidin-6-yl)ethynyl)benzamide | 1257628-68-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(3-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-4-methyl-3-(2-(pyrazolo[1,5-a]pyrimidin-6-yl)ethynyl)benzamide
• 英文别名: N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide
• CAS: 1257628-68-4
• 化学式: C₂₆H₁₇F₃N₆O
• 分子量: 486.456
• InChiKey: VFUSUPFEZWJGOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  77.1
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF
  申请人：Guangzhou Healthquest Pharma Co., Ltd.

  公开号：EP2594567B1

  公开（公告）日：2020-07-29
• Pharmaceutical Combination and Use Thereof
  申请人：ASCENTAGE PHARMA (SUZHOU) CO., LTD.

  公开号：US20220142975A1

  公开（公告）日：2022-05-12

  The invention discloses a novel pharmaceutical combination and a use thereof. The pharmaceutical combination comprises a compound of formula (I), a pharmaceutically acceptable salt thereof or a solvate thereof; and a compound of formula (II), a pharmaceutically acceptable salt thereof or a solvate thereof. The pharmaceutical combination can be used to treat cancer.
• US8846671B2
  申请人：——

  公开号：US8846671B2

  公开（公告）日：2014-09-30
• [EN] HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF<br/>[FR] COMPOSÉS BENZÈNE ALKYNYL HÉTÉROCYCLIQUES, COMPOSITIONS MÉDICALES ET LEURS UTILISATIONS
  申请人：GUANGZHOU INST OF BIOMEDICINE AND HEALTH

  公开号：WO2012000304A1

  公开（公告）日：2012-01-05

  Heterocyclic alkynyl benzene compounds of formula (I), pharmaceutically acceptable salts or stereomers thereof, as well as uses in preparing drugs for preventing or treating tumors. The compounds can overcome Gleevec induced drug resistance.