(1R,3S,5R)-3-(7-bromo-1H-naphtho[1,2-d]imidazole-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid tert-butyl ester | 1250937-17-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (1R,3S,5R)-3-(7-bromo-1H-naphtho[1,2-d]imidazole-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid tert-butyl ester
• 英文别名: (1R,3S,5R)-3-(7-bromo-1H-naphtho[1,2-d]imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid tert-butyl ester；(1R,3S,5R)-tert-butyl 3-(7-bromo-1H-naphtho[1,2-d]imidazole-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate；(1R,3S,5R)-tert-butyl 3-(7-bromo-1H-naphtho[1,2-d]imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate；tert-butyl (1R,3S,5R)-3-(7-bromo-3H-benzo[e]benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate
• CAS: 1250937-17-7
• 化学式: C₂₁H₂₂BrN₃O₂
• 分子量: 428.329
• InChiKey: WMYVLANBKFGDCB-JLZZUVOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  58.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1R,3S,5R)-3-(7-bromo-1H-naphtho[1,2-d]imidazole-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid tert-butyl ester 、 联硼酸频那醇酯 、 potassium acetate 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 氩 、 乙酸乙酯 、 silica gel 、 甲醇 、 Hexanes 、 methanol-dichloromethane 作用下， 以 1,4-二氧六环 为溶剂， 反应 20.08h， 以second column: 2 to 5% MeOH/CH2Cl2) to provide (1R,3S,5R)-tert-butyl 3-(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-naphtho[1,2-d]imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate (2.17 g, 95%)的产率得到(1R,3S,5R)-tert-butyl 3-(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-naphtho[1,2-d]imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate
  参考文献：
  名称：

  ANTIVIRAL COMPOUNDS

  摘要：

  本发明涉及抗病毒化合物、含有这种化合物的组合物、包括给予这种化合物的治疗方法，以及用于制备这种化合物的过程和中间体。

  公开号：

  US20150353529A1

文献信息

• [EN] HEPATITIS C VIRUS INHIBITORS<br/>[FR] INHIBITEURS DU VIRUS DE L'HÉPATITE C
  申请人：ENANTA PHARM INC

  公开号：WO2015017382A1

  公开（公告）日：2015-02-05

  The present invention discloses compounds of Formula (I), and pharmaceutically acceptable salts, esters, or prodrugs thereof: (structurally represented), which inhibit RNA-containing virus, particularly the hepatitis C virus (HCV). Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明公开了化合物的结构式(I)及其药学上可接受的盐、酯或前药：（结构表示），这些化合物抑制RNA含量病毒，特别是丙型肝炎病毒（HCV）。因此，本发明的化合物干扰丙型肝炎病毒的生命周期，并且也可用作抗病毒剂。本发明还涉及包括上述化合物的药物组合物，用于治疗患有HCV感染的受试者。该发明还涉及通过给予包含本发明化合物的药物组合物来治疗受试者的HCV感染的方法。
• Hepatitis C Virus Inhibitors
  申请人：Bender John A.

  公开号：US20110077280A1

  公开（公告）日：2011-03-31

  This disclosure concerns novel compounds of Formula (I) as defined in the specification and compositions comprising such novel compounds. These compounds are useful antiviral agents, especially in inhibiting the function of the NS5A protein encoded by Hepatitis C virus (HCV). Thus, the disclosure also concerns a method of treating HCV related diseases or conditions by use of these novel compounds or a composition comprising such novel compounds.

  本公开涉及公式（I）定义的新化合物和含有这些新化合物的组合物。这些化合物是有用的抗病毒剂，特别是在抑制由丙型肝炎病毒（HCV）编码的NS5A蛋白质的功能方面。因此，本公开还涉及使用这些新化合物或含有这些新化合物的组合物治疗HCV相关疾病或病情的方法。
• Antiviral compounds
  申请人：Bacon Elizabeth M.

  公开号：US09156823B2

  公开（公告）日：2015-10-13

  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、含有这种化合物的组合物、包括该化合物的给药治疗方法，以及用于制备这种化合物的过程和中间体。
• HEPATITIS C VIRUS INHIBITORS
  申请人：ENANTA PHARMACEUTICALS, INC.

  公开号：US20160222034A1

  公开（公告）日：2016-08-04

  The present invention discloses compounds of Formula (I), and pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit RNA-containing virus, particularly the hepatitis C virus (HCV). Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.
• US8377980B2
  申请人：——

  公开号：US8377980B2

  公开（公告）日：2013-02-19