1-methyl-4-(4-((4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)carbamoyl) benzyl)-1-((2-phenylacetoxy)methyl) piperazin-1-ium trifluoromethanesulfonate | 1591629-31-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-methyl-4-(4-((4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)carbamoyl) benzyl)-1-((2-phenylacetoxy)methyl) piperazin-1-ium trifluoromethanesulfonate
• 英文别名: [1-Methyl-4-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]piperazin-1-ium-1-yl]methyl 2-phenylacetate;trifluoromethanesulfonate；[1-methyl-4-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]piperazin-1-ium-1-yl]methyl 2-phenylacetate;trifluoromethanesulfonate
• CAS: 1591629-31-0
• 化学式: CF₃O₃S*C₃₈H₄₀N₇O₃
• 分子量: 791.851
• InChiKey: ZEVCHRSSKIKXKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  56
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  175
• 氢给体数：
  2
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  1-methyl-4-(4-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenylcarbamoyl)benzyl)-1-((2-phenylacetoxy)methyl)piperazin-1-ium iodide 、 silver trifluoromethanesulfonate 、 乙腈 生成 1-methyl-4-(4-((4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)carbamoyl) benzyl)-1-((2-phenylacetoxy)methyl) piperazin-1-ium trifluoromethanesulfonate
  参考文献：
  名称：

  NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES

  摘要：

  小说化合物及其合成已被描述。还描述了在预防或治疗受试者中的癌症、细菌感染或病毒感染中使用这些化合物的方法。

  公开号：

  US20140100225A1

文献信息

• Methods of Treating Tumoral Diseases, or Bacterial or Viral Infections
  申请人：Deokar Rhushikesh Chandrabhan

  公开号：US20170000789A1

  公开（公告）日：2017-01-05

  Novel compounds and their synthesis are described. Methods for using these compounds in the prevention or treatment of cancer, a bacterial infection or a viral infection in a subject are also described.
• COMPOSITIONS AND METHODS FOR INHIBITING KINASES
  申请人：Inhibikase Therapeutics, Inc.

  公开号：US20200046699A1

  公开（公告）日：2020-02-13

  The present invention provides methods for the prevention or treatment of Parkinson's Disease using Abelson-family tyrosine kinase inhibitors.
• US9487500B2
  申请人：——

  公开号：US9487500B2

  公开（公告）日：2016-11-08
• US9907796B2
  申请人：——

  公开号：US9907796B2

  公开（公告）日：2018-03-06
• [EN] NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES<br/>[FR] NOUVEAUX COMPOSÉS, LEUR PRÉPARATION ET LEURS UTILISATIONS
  申请人：INHIBIKASE THERAPEUTICS INC

  公开号：WO2014055938A1

  公开（公告）日：2014-04-10

  Novel compounds and their synthesis are described. Methods for using these compounds in the prevention or treatment of cancer, a bacterial infection or a viral infection in a subject are also described.