(2R,3R,11bS)-2-[[(1R)-6,7-dimethoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine | 1414847-31-6

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 吐根碱生物碱
• 英文名称: (2R,3R,11bS)-2-[[(1R)-6,7-dimethoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
• CAS: 1414847-31-6
• 化学式: C₃₀H₄₂N₂O₆S
• 分子量: 558.739
• InChiKey: RKTGXYGKYLXUMH-OXCRQBJNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  85.9
• 氢给体数：
  0
• 氢受体数：
  8

文献信息

• Emetine compounds for treatment and prevention of flavivirus infection
  申请人：FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC.

  公开号：US10555942B2

  公开（公告）日：2020-02-11

  The present invention concerns the use of emetine compounds for the treatment or prevention of Flavivirus infections, such as Zika virus infections. Aspects of the invention include methods for treating or preventing Flavivirus virus infection, such as Zika virus infection, by administering an emetine compound such as emetine or cephaeline, or a combination of two or more emetine compounds, to a subject in need thereof; methods for inhibiting Flavivirus infections such as Zika virus infections in a cell in vitro or in vivo; pharmaceutical compositions; packaged dosage formulations; and kits for treating or preventing Flavivirus infections, such Zika virus infections.

  本发明涉及使用依美汀化合物治疗或预防弗拉维病毒感染，如寨卡病毒感染。本发明的各个方面包括通过向有需要的受试者施用依美汀化合物，如依美汀或头孢菲林，或两种或多种依美汀化合物的组合物，治疗或预防弗拉维病毒感染，如寨卡病毒感染的方法；在体外或体内抑制细胞中弗拉维病毒感染，如寨卡病毒感染的方法；药物组合物；包装剂型；以及治疗或预防弗拉维病毒感染，如寨卡病毒感染的试剂盒。
• EMETINE COMPOUNDS FOR TREATMENT AND PREVENTION OF FLAVIVIRUS INFECTION
  申请人：FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC.

  公开号：US20190105318A1

  公开（公告）日：2019-04-11

  The present invention concerns the use of emetine compounds for the treatment or prevention of Flavivirus infections, such as Zika virus infections. Aspects of the invention include methods for treating or preventing Flavivirus virus infection, such as Zika virus infection, by administering an emetine compound such as emetine or cephaeline, or a combination of two or more emetine compounds, to a subject in need thereof; methods for inhibiting Flavivirus infections such as Zika virus infections in a cell in vitro or in vivo; pharmaceutical compositions; packaged dosage formulations; and kits for treating or preventing Flavivirus infections, such Zika virus infections.