3-O-tert-butyl 4-O-ethyl (1R,4R,6S,7Z,15R,17S)-17-methoxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-3,4-dicarboxylate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: 3-O-tert-butyl 4-O-ethyl (1R,4R,6S,7Z,15R,17S)-17-methoxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-3,4-dicarboxylate
• 化学式: C₂₆H₄₀N₂O₇
• 分子量: 492.6
• InChiKey: MNFDARULCFXRGL-NDZVSQKHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• PROCESS FOR PREPARING AN INTERMEDIATE OF THE MACROCYCLIC PROTEASE INHIBITOR TMC 435
  申请人：Janssen Pharmaceuticals, Inc.

  公开号：US20140235852A1

  公开（公告）日：2014-08-21

  The present invention relates to an improved process for preparing (2R,3aR,10Z,11aS,2aR,14aR)-cyclopenta[c]cyc-lopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxylic acid, 2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydro-2[[7-methoxy-8-methyl-2-[4-10 (1-methylethyl)-2-thiazolyl]-4-quinolinyl]oxy]-5-methyl-4,14-dioxo-, ethyl ester. This compound is an intermediate in the overall synthesis route of the macrocyclic compound TMC 435. TMC 435 is an inhibitor of NS3/4A protease which plays an important role in the replication of the hepatitis C virus.
• US8981082B2
  申请人：——

  公开号：US8981082B2

  公开（公告）日：2015-03-17
• US9328108B2
  申请人：——

  公开号：US9328108B2

  公开（公告）日：2016-05-03