butyl (2S)-2-[[[(1S)-1-[(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethoxy]-naphthalen-1-yloxyphosphoryl]amino]propanoate | 1418141-12-4

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物
• 英文名称: butyl (2S)-2-[[[(1S)-1-[(2S,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethoxy]-naphthalen-1-yloxyphosphoryl]amino]propanoate
• CAS: 1418141-12-4
• 化学式: C₂₈H₃₇N₄O₉P
• 分子量: 604.597
• InChiKey: DXOTYHUGROJLIR-QGBSRISOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  42
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  182
• 氢给体数：
  4
• 氢受体数：
  10

文献信息

• [EN] 5'-SUBSTITUTED NUCLEOSIDE ANALOGS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES<br/>[FR] ANALOGUES DE NUCLÉOSIDES 5'-SUBSTITUÉS ET LEURS PROCÉDÉS D'UTILISATION POUR LE TRAITEMENT DE MALADIES VIRALES
  申请人：MERCK SHARP & DOHME

  公开号：WO2013009737A1

  公开（公告）日：2013-01-17

  The present invention relates to 5'-Substituted Nucleoside Analogs of Formula (I): and pharmaceutically acceptable salts thereof, wherein B, X, Z, R1, R2, R3 and R3' are as defined herein. The present invention also relates to compositions comprising at least one 5'-Substituted Nucleoside Analog, and methods of using the 5'-Substituted Nucleoside Analogs for treating or preventing HCV infection in a patient.

  本发明涉及式(I)的5'-取代核苷类似物及其药用盐，其中B、X、Z、R1、R2、R3和R3'如本文所定义。本发明还涉及包含至少一种5'-取代核苷类似物的组合物，以及使用这些5'-取代核苷类似物治疗或预防患者HCV感染的方法。
• 5'-SUBSTITUTED NUCLEOSIDE ANALOGS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES
  申请人：Verma Vishal A.

  公开号：US20140221304A1

  公开（公告）日：2014-08-07

  The present invention relates to 5′-Substituted Nucleoside Analogs of Formula (I): and pharmaceutically acceptable salts thereof, wherein B, X, Z, R 1 , R 2 , R 3 and R 3′ are as defined herein. The present invention also relates to compositions comprising at least one 5′-Substituted Nucleoside Analog, and methods of using the 5′-Substituted Nucleoside Analogs for treating or preventing HCV infection in a patient.
• US9408863B2
  申请人：——

  公开号：US9408863B2

  公开（公告）日：2016-08-09