(1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-[2-(4-methoxyphenyl)ethynyl]pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol | 1208108-28-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-[2-(4-methoxyphenyl)ethynyl]pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
• CAS: 1208108-28-4
• 化学式: C₁₉H₂₁ClN₄O₄
• 分子量: 404.853
• InChiKey: QCMRYEXKEUKHNQ-MPESAESLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  134
• 氢给体数：
  5
• 氢受体数：
  8

文献信息

• [EN] ETHYNYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS<br/>[FR] DÉRIVÉS DE PYRIDINE ET DE PYRIMIDINE À SUBSTITUTION ÉTHYLYLE ET LEUR UTILISATION DANS LE TRAITEMENT D'INFECTIONS VIRALES
  申请人：SCHERING CORP

  公开号：WO2010022125A1

  公开（公告）日：2010-02-25

  The present invention provides compounds of Formula (I): (Chemical formula should be inserted here as it appears on abstract in paper form) (I) and tautomers, isomers, and esters of said compounds, and pharmaceutically acceptable salts, solvates, and prodrugs of said compounds, wherein wherein each of R, R1, X, Y, Z, R2, R3, R4, R5, R6, R7, R8, R9, R18, R19 and n is selected independently and as defined herein. Compositions comprising such compounds are also provided. The compounds of the invention are effective as inhibitors of HCV, and are useful, alone and together with other therapeutic agents, in treating or preventing dieases or disorders such as viral infections and virus-related disorders.

  本发明提供了化合物的公式(I)：(化学式应按照纸质摘要中的形式插入) (I)及其互变异构体、同分异构体和酯，以及所述化合物的药用可接受的盐、溶剂化合物和前药，其中R、R1、X、Y、Z、R2、R3、R4、R5、R6、R7、R8、R9、R18、R19和n中的每个均独立选择并按照此处定义。还提供了包含这些化合物的组合物。本发明的化合物作为HCV的抑制剂是有效的，并且单独或与其他治疗剂一起，在治疗或预防病毒感染和与病毒相关的疾病或疾病方面是有用的。
• ETHYNYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS
  申请人：Kwong Cecil D.

  公开号：US20120107271A1

  公开（公告）日：2012-05-03

  The present invention provides compounds of Formula (I): (Chemical formula should be inserted here as it appears on abstract in paper form) (I) and tautomers, isomers, and esters of said compounds, and pharmaceutically acceptable salts, solvates, and pro-drugs of said compounds, wherein each of R, R 1 , X, Y, Z, R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 18 , R 19 and n is selected independently and as defined herein. Compositions comprising such compounds are also provided. The compounds of the invention are effective as inhibitors of HCV, and are useful, alone and together with other therapeutic agents, in treating or preventing diseases or disorders such as viral infections and virus-related disorders.
• US8541434B2
  申请人：——

  公开号：US8541434B2

  公开（公告）日：2013-09-24