(R)-2-((2S,4S)-4-(methoxymethyl)-2-(2'-((1R,3S,5R)-2-((S)-3-methyl-2-methoxycarbonylaminobutanoyl)-2-azabicyclo[3.1.0]hexane-3-yl)-1H,1'H-7,7'-binaphtho[1,2-d]imidazol-2-yl)pyrrolidin-1-yl)-2-oxo-1-phenylethylcarbamic acid methyl ester | 1377045-97-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (R)-2-((2S,4S)-4-(methoxymethyl)-2-(2'-((1R,3S,5R)-2-((S)-3-methyl-2-methoxycarbonylaminobutanoyl)-2-azabicyclo[3.1.0]hexane-3-yl)-1H,1'H-7,7'-binaphtho[1,2-d]imidazol-2-yl)pyrrolidin-1-yl)-2-oxo-1-phenylethylcarbamic acid methyl ester
• 英文别名: (R)-2-((2S,4S)-4-(methoxymethyl)-2-(2'-((1R,3S,5R)-2-((S)-3-methyl-2-methoxycarbonylaminobutanoyl)-2-azabicyclo[3.1.0]hexan-3-yl)-1H,1'H-7,7'-binaphtho[1,2-d]imidazol-2-yl)pyrrolidin-1-yl)-2-oxo-1-phenylethylcarbamic acid methyl ester；methyl (R)-2-((2S,4S)-4-(methoxymethyl)-2-(2'-((1R,3S,5R)-2-((S)-3-methyl-2-methoxycarbonylaminobutanoyl)-2-azabicyclo[3.1.0]hexane-3-yl)-1H,1'H-7,7'-binaphtho[1,2-d]imidazole-2-yl) pyrrolidine-1-yl)-2-oxo-1-phenylethylcarbamate；methyl (R)-2-((2S,4S)-4-(methoxymethyl)-2-(2'-((1R,3S,5R)-2-((S)-3-methyl-2-methoxycarbonylaminobutanoyl)-2-azabicyclo[3.1.0]hexan-3-yl)-1H,1'H-7,7'-binaphtho[1,2-d]imidazol-2-yl)pyrrolidin-1-yl)-2-oxo-1-phenylethylcarbamate；methyl N-[(1R)-2-[(2S,4S)-2-[7-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzo[e]benzimidazol-7-yl]-3H-benzo[e]benzimidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
• CAS: 1377045-97-0
• 化学式: C₅₀H₅₂N₈O₇
• 分子量: 877.012
• InChiKey: RPZNHJAQZKXCGW-DGEQMSRTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  65
• 可旋转键数：
  13
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  184
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (R)-2-((2S,4S)-4-(methoxymethyl)-2-(2'-((1R,3S,5R)-2-((S)-3-methyl-2-methoxycarbonylaminobutanoyl)-2-azabicyclo[3.1.0]hexane-3-yl)-1H,1'H-7,7'-binaphtho[1,2-d]imidazol-2-yl)pyrrolidin-1-yl)-2-oxo-1-phenylethylcarbamic acid methyl ester 、 methyl (S)-1-((2S,4S)-4-(methoxymethyl)-2-(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-naphtho[1,2-d]imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-ylcarbamate 、 (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 以to give methyl (S)-1-((2S,4S)-2-(2′-((1R,3S,5R)-2-((R)-2-(methoxycarbonylamino)-2-phenylacetyl)-2-azabicyclo[3.1.0]hexan-3-yl)-1H,1′H-7,7′-binaphtho[2,1-d]imidazol-2-yl)-4-(methoxymethyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-ylcarbamate (0.048 g, 27%)的产率得到methyl (S)-1-((2S,4S)-2-(2'-((1R,3S,5R)-2-((R)-2-(methoxycarbonylamino)-2-phenylacetyl)-2-azabicyclo[3.1.0]hexan-3-yl)-1H,1'H-7,7'-binaphtho[2,1-d]imidazol-2-yl)-4-(methoxymethyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-ylcarbamate
  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有用过程和中间体。

  公开号：

  US20140018313A1

文献信息

• 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。
• US9156823B2
  申请人：——

  公开号：US9156823B2

  公开（公告）日：2015-10-13
• [EN] ANTIVIRAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIVIRAUX
  申请人：GILEAD SCIENCES INC

  公开号：WO2012068234A2

  公开（公告）日：2012-05-24

  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.