dimethyl ((2S,2'S)-((2S,2'S)-2,2'-(5,5'-(oxybis(4,1-phenylene))bis(1H-imidazole5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl))dicarbamate | 1256383-69-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: dimethyl ((2S,2'S)-((2S,2'S)-2,2'-(5,5'-(oxybis(4,1-phenylene))bis(1H-imidazole5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl))dicarbamate
• 英文别名: methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
• CAS: 1256383-69-3
• 化学式: C₄₀H₅₀N₈O₇
• 分子量: 754.886
• InChiKey: MSEZOADIRLOXGA-CUPIEXAXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  55
• 可旋转键数：
  14
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  184
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  二苯醚 在 盐酸 、 ammonium acetate 、 水 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 甲苯 、 乙腈 为溶剂， 反应 34.0h， 生成 dimethyl ((2S,2'S)-((2S,2'S)-2,2'-(5,5'-(oxybis(4,1-phenylene))bis(1H-imidazole5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl))dicarbamate
  参考文献：
  名称：

  Synthesis and biological evaluation of new potent and selective HCV NS5A inhibitors

  摘要：

  NS5A inhibitors are a new class of direct-acting antiviral agents which display very potent anti-HCV activity in vitro and in humans. Rationally designed modifications to the central biphenyl linkage of a known NS5A series led to selection of several compounds that were synthesized and evaluated in a HCV genotype 1b replicon. The straight triphenyl linked compound 11a showed similar anti-HCV activity to the clinical compound BMS-790052 and a superior cytotoxicity profile in three different cell lines, with an EC50 value of 26 pM and a therapeutic index of over four million in an HCV replicon assay. This triphenyl analog warrants further preclinical evaluation as an anti-HCV agent. (C) 2012 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2012.03.089

文献信息

• ANTIVIRAL COMPOUNDS
  申请人：Guo Hongyan

  公开号：US20120157404A1

  公开（公告）日：2012-06-21

  The invention is related to anti-viral compounds, compositions containing such compounds, and therapeutic methods that include the administration of such compounds, as well as to processes and intermediates useful for preparing such compounds.

  该发明涉及抗病毒化合物、含有这些化合物的组合物以及包括给予这些化合物的治疗方法，还涉及用于制备这些化合物的过程和中间体。
• POTENT AND SELECTIVE INHIBITORS OF HEPATITIS C VIRUS
  申请人：RFS Pharma, LLC

  公开号：US20140350016A1

  公开（公告）日：2014-11-27

  The present invention is directed to compounds, compositions and methods for treating or preventing hepatitis C virus (HCV) infection in human subjects or other animal hosts. The compounds are as also pharmaceutically acceptable, salts, prodrugs, and other derivatives thereof as pharmaceutical compositions and methods for treatment or prevention of HCV infection.

  本发明涉及用于治疗或预防人类或其他动物宿主的丙型肝炎病毒（HCV）感染的化合物、组合物和方法。这些化合物也可作为药物组成物的药物学可接受的盐、前药和其他衍生物，并用于治疗或预防HCV感染的方法。
• [EN] POTENT AND SELECTIVE INHIBITORS OF HEPATITIS C VIRUS<br/>[FR] INHIBITEURS PUISSANTS ET SÉLECTIFS DU VIRUS DE L'HÉPATITE C
  申请人：RFS PHARMA LLC

  公开号：WO2012027712A3

  公开（公告）日：2012-06-21
• INHIBITORS OF HCV NS5A
  申请人：Li Leping

  公开号：US20120040977A1

  公开（公告）日：2012-02-16

  Provided herein are compounds, pharmaceutical compositions and combination therapies for inhibition of hepatitis C.
• US8088368B2
  申请人：——

  公开号：US8088368B2

  公开（公告）日：2012-01-03