2-(1-{1-Carboxy-2-[4-(3-methyl-but-2-enyloxy)-phenyl]-ethylcarbamoyl}-10-hydroxy-heptadec-2-enyl)-2-hydroxy-succinic acid

• 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: 2-(1-{1-Carboxy-2-[4-(3-methyl-but-2-enyloxy)-phenyl]-ethylcarbamoyl}-10-hydroxy-heptadec-2-enyl)-2-hydroxy-succinic acid
• 英文别名: (2S)-2-[(E,2S)-1-[[(1S)-1-carboxy-2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]amino]-11-hydroxy-1-oxooctadec-3-en-2-yl]-2-hydroxybutanedioic acid
• 化学式: C₃₆H₅₅NO₁₀
• 分子量: 661.833
• InChiKey: JIIYUWDFFCHFKL-JACYUVIRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  47
• 可旋转键数：
  26
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  191
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  (S)-2-((E)-(S)-1-{(S)-1-Carboxy-2-[4-(3-methyl-but-2-enyloxy)-phenyl]-ethylcarbamoyl}-10-oxo-heptadec-2-enyl)-2-hydroxy-succinic acid 在 sodium tetrahydroborate 、 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 4.0h， 以51%的产率得到2-(1-{1-Carboxy-2-[4-(3-methyl-but-2-enyloxy)-phenyl]-ethylcarbamoyl}-10-hydroxy-heptadec-2-enyl)-2-hydroxy-succinic acid
  参考文献：
  名称：

  REMEDY FOR VIRAL DISEASE

  摘要：

  公开号：

  EP1593378B1

文献信息

• Virus therapeutic drug
  申请人：Aoki Masahiro

  公开号：US20100274026A1

  公开（公告）日：2010-10-28

  The object of the present invention is to provide a pharmaceutical composition for preventing or treating viral infectious diseases. The compounds of the present invention have extremely potent anti-HCV activity and HCV growth inhibitory effects, and since they also only demonstrate mild cytotoxicity in vivo, a pharmaceutical composition containing the compound of the present invention is extremely useful as an anti-HCV preventive/therapeutic agent.
• PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OR PREVENTION OF HBV INFECTION
  申请人：Mizokami Masashi

  公开号：US20110160252A1

  公开（公告）日：2011-06-30

  First, the present inventors assessed the effect of the compound represented by formula (III) below on Huh-7 cells infected with HBV, and demonstrated that the compound alone had an anti-HBV effect in vitro. Formula (III) Then, the present inventors revealed that the HBV replication-suppressing effect of PEG-IFN is enhanced in chimeric mice having a human liver infected with genotype C or A HBV when PEG-IFN is used in combination with the compound represented by formula (III) above. The present inventors also revealed that the HBV replication-suppressing effect of Entecavir is enhanced in chimeric mice having a human liver infected with genotype C HBV (wild-type and Entecavir-resistant strains) when Entecavir is used in combination with the compound represented by formula (III) above. In addition, the present inventors revealed that the compound represented by formula (III) above exerts the anti-HBV effect not only against wild-type HBV strains but also against Entecavir- and/or Lamivudine-resistant HBV strains.
• US7776918B2
  申请人：——

  公开号：US7776918B2

  公开（公告）日：2010-08-17
• US8183005B1
  申请人：——

  公开号：US8183005B1

  公开（公告）日：2012-05-22
• REMEDY FOR VIRAL DISEASE
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：EP1593378B1

  公开（公告）日：2013-09-25