1-methyl-cyclopropanesulfonic acid {(Z)-(1S,4R,6S,18S)-18-[7-methoxy-8-methyl-2-(4-trifluoromethyl-thiazol-2-yl)-quinolin-4-yloxy]-13-methyl-2,14-dioxo-3,13,15-triaza-tricyclo[13.4.0.0*4,6*]nonadec-7-ene-4-carbonyl}amide | 1251165-81-7

• 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: 1-methyl-cyclopropanesulfonic acid {(Z)-(1S,4R,6S,18S)-18-[7-methoxy-8-methyl-2-(4-trifluoromethyl-thiazol-2-yl)-quinolin-4-yloxy]-13-methyl-2,14-dioxo-3,13,15-triaza-tricyclo[13.4.0.0*4,6*]nonadec-7-ene-4-carbonyl}amide
• 英文别名: Unii-lov58xhf8I；(1S,4R,6S,7Z,18S)-18-[7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-4-yl]oxy-13-methyl-N-(1-methylcyclopropyl)sulfonyl-2,14-dioxo-3,13,15-triazatricyclo[13.4.0.04,6]nonadec-7-ene-4-carboxamide
• CAS: 1251165-81-7
• 化学式: C₃₇H₄₃F₃N₆O₇S₂
• 分子量: 804.912
• InChiKey: YEPBUHWNLNKZBW-UEMKMYPFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  55
• 可旋转键数：
  7
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  197
• 氢给体数：
  2
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  (1R,2S)-1-叔丁氧羰基氨基-2-乙烯基环丙烷甲酸 在 甲醇 、 詹氏催化剂 、 N,N-二异丙基乙胺 、 乙酰氯 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 、 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 39.0h， 生成 1-methyl-cyclopropanesulfonic acid {(Z)-(1S,4R,6S,18S)-18-[7-methoxy-8-methyl-2-(4-trifluoromethyl-thiazol-2-yl)-quinolin-4-yloxy]-13-methyl-2,14-dioxo-3,13,15-triaza-tricyclo[13.4.0.0*4,6*]nonadec-7-ene-4-carbonyl}amide
  参考文献：
  名称：

  MACROCYCLIC SERINE PROTEASE INHIBITORS

  摘要：

  公开号：

  EP2417134B1

文献信息

• INDUCIBLE CONTROL OF GENE EXPRESSION
  申请人：TRUSTEES OF BOSTON UNIVERSITY

  公开号：US20220025381A1

  公开（公告）日：2022-01-27

  The technology described herein is directed to inducible and repressible polypeptides and polypeptide systems. In particular, described herein are split sequence-specific nucleases and split recombinases that are linked to drug-inducible or drug-repressible dimerization domains. In some embodiments, the polypeptides comprise sequestering domains and/or have their expression controlled by an inducible promoter. In multiple aspects described herein are polynucleotides, vectors, cells, and pharmaceutical compositions comprising said polypeptides or polypeptide systems. Also described herein are methods of using said polypeptide systems to modulate the expression of a target polypeptide or to treat a subject in need of a cell therapy.
• US8377962B2
  申请人：——

  公开号：US8377962B2

  公开（公告）日：2013-02-19
• US8993595B2
  申请人：——

  公开号：US8993595B2

  公开（公告）日：2015-03-31
• MACROCYCLIC SERINE PROTEASE INHIBITORS
  申请人：Parsy Christophe Claude

  公开号：US20100260710A1

  公开（公告）日：2010-10-14

  Provided herein are macrocyclic serine protease inhibitor compounds, for example, of Formula Ia or Ib, pharmaceutical compositions comprising the compounds, and processes of preparation thereof. Also provided are methods of their use for the treatment of an HCV infection in a host in need thereof.

  本文提供了大环丝氨酸蛋白酶抑制剂化合物，例如，Ia或Ib式的化合物，包括这些化合物的药物组合物，以及其制备方法。还提供了它们用于治疗宿主HCV感染的方法。