(1R,9aR)-N-[(1S)-1-(5-isoquinolin-7-yl-1H-imidazol-2-yl)-7-(methylamino)-7-oxoheptyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 羽扇豆生物碱
• 英文名称: (1R,9aR)-N-[(1S)-1-(5-isoquinolin-7-yl-1H-imidazol-2-yl)-7-(methylamino)-7-oxoheptyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide
• 化学式: C₃₀H₄₀N₆O₂
• 分子量: 516.7
• InChiKey: VMPYXZQHTFHMQK-CMTIAEDTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  103
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• [EN] COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES<br/>[FR] COMPOSÉS DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT DE MALADIES PARASITAIRES
  申请人：IRBM SCIENCE PARK S P A

  公开号：WO2014067985A1

  公开（公告）日：2014-05-08

  The present invention relates to compounds useful for treating parasitic diseases, which are infectious diseases caused or transmitted by a parasite. Compounds of the invention are particularly active against the causative pathogens in malaria. Such compounds are selective inhibitors of parasitic histone deacetylase (PfHDAC) and suppress the growth of parasites, such as Plasmodium falciparum, at a lower concentration than the concentration required for the inhibition of the growth of mammalian cells.

  本发明涉及用于治疗寄生虫病的化合物，这些疾病是由寄生虫引起或传播的传染病。本发明的化合物对疟疾病原体特别活跃。这些化合物是寄生虫组蛋白去乙酰化酶（PfHDAC）的选择性抑制剂，能够抑制寄生虫（如疟原虫）的生长，且所需浓度低于抑制哺乳动物细胞生长所需的浓度。
• COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES
  申请人：IRBM - SCIENCE PARK S.P.A.

  公开号：US20150299163A1

  公开（公告）日：2015-10-22

  The present invention relates to compounds useful for treating parasitic diseases, which are infectious diseases caused or transmitted by a parasite. Compounds of the invention are particularly active against the causative pathogens in malaria. Such compounds are selective inhibitors of parasitic histone deacetylase (PfHDAC) and suppress the growth of parasites, such as Plasmodium falciparum , at a lower concentration than the concentration required for the inhibition of the growth of mammalian cells.

  本发明涉及用于治疗寄生虫病的化合物，这些疾病是由寄生虫引起或传播的传染病。本发明的化合物特别对疟疾病原体具有活性。这些化合物是寄生虫组蛋白去乙酰化酶(PfHDAC)的选择性抑制剂，可以在比抑制哺乳动物细胞生长所需浓度更低的浓度下抑制疟原虫等寄生虫的生长。
• US9365541B2
  申请人：——

  公开号：US9365541B2

  公开（公告）日：2016-06-14