6-[(2S,5S)-5-methylpyrrolidin-2-yl]-17-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 6-[(2S,5S)-5-methylpyrrolidin-2-yl]-17-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaene
• 化学式: C₃₁H₃₂N₆O
• 分子量: 504.6
• InChiKey: RBULMPBBKRUKAO-FRSFCCSCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  38
• 可旋转键数：
  3
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  90.6
• 氢给体数：
  4
• 氢受体数：
  5

文献信息

• 9-(1H-IMIDAZOL-5-YL)-1,11-DIHYDROISOCHROMENO[4',3':6,7]NAPHTHO[1,2-D]IMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF HCV NS5A
  申请人：Gilead Pharmasset LLC

  公开号：EP3239153A1

  公开（公告）日：2017-11-01

  The disclosure is related to anti-viral compounds of formula (I)         E1a-V1a-C(=O)-P1a-W1a-P1b-C(=O)-V1b-E1b     (I) wherein W1a is wherein Y5 is -CH 2-O- or -C(=O)-O-; X5 is -CH=CH-; and W1a is optionally substituted with halo or alkyl; and to compositions containing such compounds for use in the prophylactic or therapeutic treatment of hepatitis C.

  本公开涉及式 (I) 的抗病毒化合物 E1a-V1a-C(=O)-P1a-W1a-P1b-C(=O)-V1b-E1b (I) 其中 W1a 是 其中 Y5 是-CH 2-O- 或-C(=O)-O-； X5是-CH=CH-；和 W1a任选被卤素或烷基取代； 以及含有此类化合物的用于丙型肝炎预防或治疗的组合物。
• ANTIVIRAL COMPOUNDS
  申请人：Gilead Sciences, Inc.

  公开号：EP2935279A1

  公开（公告）日：2015-10-28
• [EN] ANTIVIRAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIVIRAUX
  申请人：GILEAD SCIENCES INC

  公开号：WO2014100500A1

  公开（公告）日：2014-06-26

  The disclosure is related to compounds having a polycyclic core and at least one 2,6-dimethyltetrahydro-2H-pyran-4-yl, 4- methyltetrahydro-2H-pyran-4-yl, or tetrahydro-2H-pyran-3-yl capping group, which compounds are provided for use in pharmaceutical compositions and methods for treating hepatitis C (HCV).