(3S,5 S)-5-((S)-1-((S)-1-cyclohexyl-2-(methylamino)-2-oxoethylamino)-3,3-dimethyl-1-oxobutan-2-ylcarbamoyl)pyrrolidin-3-yl 3,4-dihydroisoquinoline-2(1H)-carboxylate | 1134826-62-2

• 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: (3S,5 S)-5-((S)-1-((S)-1-cyclohexyl-2-(methylamino)-2-oxoethylamino)-3,3-dimethyl-1-oxobutan-2-ylcarbamoyl)pyrrolidin-3-yl 3,4-dihydroisoquinoline-2(1H)-carboxylate
• 英文别名: [(3S,5S)-5-[[(2S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate
• CAS: 1134826-62-2
• 化学式: C₃₀H₄₅N₅O₅
• 分子量: 555.718
• InChiKey: OKCSKMMTOVXTSB-OJJQZRKESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  40
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  129
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (3S,5S)-5-((S)-1-((S)-1-cyclohexyl-2-(methylamino)-2-oxoethylamino)-3,3-dimethyl-1-oxobutan-2-ylcarbamoyl)-1-ethylpyrrolidin-3-yl 3,4-dihydroisoquinoline-2(1H)-carboxylate 、 trifluoracetic acid-dichloromethane 反应 1.0h， 以Compound 31 (crude, 0.253 g) is obtained as white foam for use in the next step的产率得到(3S,5 S)-5-((S)-1-((S)-1-cyclohexyl-2-(methylamino)-2-oxoethylamino)-3,3-dimethyl-1-oxobutan-2-ylcarbamoyl)pyrrolidin-3-yl 3,4-dihydroisoquinoline-2(1H)-carboxylate
  参考文献：
  名称：

  UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION

  摘要：

  该发明提供了含有尿素肽化合物的化合物，其化学式为I，并提供其药物盐和水合物。其中变量T，R1-R9，J，L，M，Y，Z，m，n和t在此定义。公式I的某些化合物可用作抗病毒剂。本文披露的某些含尿素肽化合物是强效和/或选择性的病毒复制抑制剂，特别是对丙型肝炎病毒复制。该发明还提供了含有一种或多种尿素肽化合物和一种或多种药学上可接受的载体、赋形剂或稀释剂的药物组合物。这样的药物组合物可以仅包含一种尿素肽化合物作为唯一的活性剂，也可以包含尿素肽化合物和一种或多种其他药学上活性剂的组合。该发明还提供了用于治疗哺乳动物病毒感染，包括丙型肝炎感染的方法。

  公开号：

  US20090082261A1

文献信息

• Urea-containing peptides as inhibitors of viral replication
  申请人：Achillion Pharmaceuticals, Inc.

  公开号：US08163693B2

  公开（公告）日：2012-04-24

  The invention provides compounds urea-containing peptide compounds of Formula I and the pharmaceutically salts and hydrates thereof. The variables T, R1-R9, J, L, M, Y, Z, m, n, and t are defined herein. Certain compounds of Formula I are useful as antiviral agents. Certain urea-containing peptide compounds disclosed herein are potent and/or selective inhibitors of viral replication, particularly Hepatitis C virus replication. The invention also provides pharmaceutical compositions containing one or more urea containing peptides compounds and one or more pharmaceutically acceptable carriers, excipients, or diluents. Such pharmaceutical compositions may contain a urea containing peptides compound as the only active agent or may contain a combination of a urea containing peptides compound and one or more other pharmaceutically active agents. The invention also provides methods for treating viral infections, including Hepatitis C infections, in mammals.

  该发明提供了含有尿素肽化合物的化合物，其化学式为I，并提供其药学盐和水合物。变量T，R1-R9，J，L，M，Y，Z，m，n和t在此定义。化合物I的某些化合物可用作抗病毒剂。本文所披露的某些含尿素肽化合物是强效和/或选择性的病毒复制抑制剂，特别是对丙型肝炎病毒的复制。该发明还提供含有一种或多种尿素肽化合物和一种或多种药学上可接受的载体，赋形剂或稀释剂的制药组合物。这种制药组合物可以仅包含尿素肽化合物作为唯一活性成分，也可以包含尿素肽化合物和一种或多种其他药学活性成分的组合。该发明还提供用于治疗哺乳动物病毒感染，包括丙型肝炎感染的方法。
• US8163693B2
  申请人：——

  公开号：US8163693B2

  公开（公告）日：2012-04-24
• [EN] UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION<br/>[FR] PEPTIDES CONTENANT DE L'URÉE EN TANT QU'INHIBITEURS DE LA RÉPLICATION VIRALE
  申请人：ACHILLION PHARMACEUTICALS INC

  公开号：WO2009042668A2

  公开（公告）日：2009-04-02

  The invention provides compounds urea-containing peptide compounds of Formula I and the pharmaceutically salts and hydrates thereof. The variables T, R1-R9, J, L, M, Y, Z, m, n, and t are defined herein. Certain compounds of Formula I are useful as antiviral agents. Certain urea-containing peptide compounds disclosed herein are potent and/ or selective inhibitors of viral replication, particularly Hepatitis C virus replication. The invention also provides pharmaceutical compositions containing one or more urea containing peptides compounds and one or more pharmaceutically acceptable carriers, excipients, or diluents. Such pharmaceutical compositions may contain a urea containing peptides compound as the only active agent or may contain a combination of a urea containing peptides compound and one or more other pharmaceutically active agents. The invention also provides methods for treating viral infections, including Hepatitis C infections, in mammals.