S-[[(3aS,4R,6S,6aR)-4-(1,3-dioxoisoindol-2-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl] ethanethioate | 1380442-77-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: S-[[(3aS,4R,6S,6aR)-4-(1,3-dioxoisoindol-2-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl] ethanethioate
• CAS: 1380442-77-2
• 化学式: C₁₉H₂₁NO₅S
• 分子量: 375.445
• InChiKey: SLGOZOBHPZQQSU-MPESAESLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  98.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  S-[[(3aS,4R,6S,6aR)-4-(1,3-dioxoisoindol-2-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl] ethanethioate 在 磺酰氯 、 potassium nitrate 作用下， 以 乙腈 为溶剂， 反应 0.5h， 生成 [(3aS,4R,6S,6aR)-4-(1,3-dioxoisoindol-2-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanesulfonyl chloride
  参考文献：
  名称：

  硫羟乙酸酯明显转化为其相应的磺酰氯

  摘要：

  描述了在酸和碱敏感的官能团存在下硫羟乙酸盐直接转化为其相应的磺酰氯的方法。

  DOI：

  10.1016/j.tetlet.2012.03.111
• 作为产物：
  描述：

  (1R,2S,3R,4R)-2,3-二羟基-4-(羟甲基)-1-氨基环戊烷水电氯化物 在 甲烷磺酸 、 偶氮二甲酸二异丙酯 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 生成 S-[[(3aS,4R,6S,6aR)-4-(1,3-dioxoisoindol-2-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl] ethanethioate
  参考文献：
  名称：

  硫羟乙酸酯明显转化为其相应的磺酰氯

  摘要：

  描述了在酸和碱敏感的官能团存在下硫羟乙酸盐直接转化为其相应的磺酰氯的方法。

  DOI：

  10.1016/j.tetlet.2012.03.111

文献信息

• Substituted pyridine and pyrimidine derivatives and their use in treating viral infections
  申请人：Arasappan Ashok

  公开号：US09433621B2

  公开（公告）日：2016-09-06

  The present invention provides compounds of Formula (I): and tautomers, isomers, and esters of said compounds, and pharmaceutically acceptable salts, solvates, and prodrugs of said compounds, 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 diseases or disorders such as viral infections and virus-related disorders.

  本发明提供了式(I)的化合物：以及所述化合物的互变异构体、异构体和酯，以及所述化合物的药学上可接受的盐、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中的每个都是独立选择并如本文所定义。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，并且在治疗或预防病毒感染和与病毒相关的疾病或紊乱方面，单独或与其他治疗剂一起使用是有用的。
• SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2536410B1

  公开（公告）日：2015-09-23
• SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS
  申请人：Arasappan Ashok

  公开号：US20140242027A1

  公开（公告）日：2014-08-28

  The present invention provides compounds of Formula (I): and tautomers, isomers, and esters of said compounds, and pharmaceutically acceptable salts, solvates, and prodrugs 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.
• US9433621B2
  申请人：——

  公开号：US9433621B2

  公开（公告）日：2016-09-06
• [EN] SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS<br/>[FR] DÉRIVÉS DE PYRIDINE ET PYRIMIDINE SUBSTITUÉS ET LEUR UTILISATION DANS LE TRAITEMENT D'INFECTIONS VIRALES
  申请人：SCHERING CORP

  公开号：WO2011103441A1

  公开（公告）日：2011-08-25

  The present invention provides compounds of Formula(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.