tert-butyl (1R,2R,4R)-2-[[(1R,2S)-2-ethenyl-1-ethoxycarbonylcyclopropyl]carbamoyl]-4-[7-methoxy-8-methyl-2-(6-methylpyridin-2-yl)quinolin-4-yl]oxycyclopentane-1-carboxylate | 923604-93-7

• 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: tert-butyl (1R,2R,4R)-2-[[(1R,2S)-2-ethenyl-1-ethoxycarbonylcyclopropyl]carbamoyl]-4-[7-methoxy-8-methyl-2-(6-methylpyridin-2-yl)quinolin-4-yl]oxycyclopentane-1-carboxylate
• CAS: 923604-93-7
• 化学式: C₃₆H₄₃N₃O₇
• 分子量: 629.753
• InChiKey: UHVMJGVOGNFEAV-FCWYMIPQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  46
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  126
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  tert-butyl (1R,2R,4R)-2-[[(1R,2S)-2-ethenyl-1-ethoxycarbonylcyclopropyl]carbamoyl]-4-[7-methoxy-8-methyl-2-(6-methylpyridin-2-yl)quinolin-4-yl]oxycyclopentane-1-carboxylate 在 三乙基硅烷 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以80%的产率得到(1R,2R,4R)-2-[[(1R,2S)-2-ethenyl-1-ethoxycarbonylcyclopropyl]carbamoyl]-4-[7-methoxy-8-methyl-2-(6-methylpyridin-2-yl)quinolin-4-yl]oxycyclopentane-1-carboxylic acid
  参考文献：
  名称：

  WO2007/14926

  摘要：

  公开号：
• 作为产物：
  描述：

  (1R,2R,4S)-2-((1R,2S)-1-ethoxycarbonyl-2-vinyl-cyclopropylcarbamoyl)-4-hydroxy-cyclopenteanecarboxylic acid tert-butyl ester 、 4-hydroxy-2-(6-methyl-2-pyridyl)-7-methoxy-8-methylquinoline 在 三苯基膦 、 偶氮二甲酸二异丙酯 作用下， 以 四氢呋喃 为溶剂， 反应 0.17h， 以88%的产率得到tert-butyl (1R,2R,4R)-2-[[(1R,2S)-2-ethenyl-1-ethoxycarbonylcyclopropyl]carbamoyl]-4-[7-methoxy-8-methyl-2-(6-methylpyridin-2-yl)quinolin-4-yl]oxycyclopentane-1-carboxylate
  参考文献：
  名称：

  WO2007/14926

  摘要：

  公开号：

文献信息

• MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS
  申请人：Janssen Sciences Ireland UC

  公开号：US20170226111A1

  公开（公告）日：2017-08-10

  Inhibitors of HCV replication of formula (I) and the N-oxides, salts, and stereoisomers, wherein each dashed line represents an optional double bond; X is N, CH and where X bears a double bond it is C; R 1 is —OR 7 , —NH—SO 2 R 8 ; R 2 is hydrogen, and where X is C or CH, R 2 may also be C 1-6 alkyl; R 3 is hydrogen, C 1-6 alkyl, C 1-6 alkoxyC 1-6 alkyl, C 3-7 cycloalkyl; R 4 is aryl or Het; n is 3, 4, 5, or 6; R 5 is halo, C 1-6 alkyl, hydroxy, C 1-6 alkoxy, phenyl, or Het; R 6 is C 1-6 alkoxy, or dimethylamino; R 7 is hydrogen; aryl; Het; C 3-7 cycloalkyl optionally substituted with C 1-6 alkyl; or C 1-6 alkyl optionally substituted with C 3-7 cycloalkyl, aryl or with Het; R 8 is aryl; Het; C 3-7 cycloalkyl optionally substituted with C 1-6 alkyl; or C 1-6 alkyl optionally substituted with C 3-7 cycloalkyl, aryl or with Het; aryl is phenyl optionally substituted with one, two or three substituents; Het is a 5 or 6 membered saturated, partially unsaturated or completely unsaturated heterocyclic ring containing 1 to 4 heteroatoms selected from nitrogen, oxygen and sulfur, and being optionally substituted with one, two or three substituents; pharmaceutical compositions containing compounds (I) and processes for preparing compounds (I). Bioavailable combinations of the inhibitors of HCV of formula (I) with ritonavir are also provided.