3-{[(4-Chlorophenyl)carbamoyl]amino}-N-cyclopropyl-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-A][1,5]diazocin-3(4H)-YL)benzamide

• 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: 3-{[(4-Chlorophenyl)carbamoyl]amino}-N-cyclopropyl-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-A][1,5]diazocin-3(4H)-YL)benzamide
• 英文别名: 3-[(4-chlorophenyl)carbamoylamino]-N-cyclopropyl-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide
• 化学式: C₂₈H₂₈ClN₅O₃
• mdl: MFCD15099241
• 分子量: 518.0
• InChiKey: OLMGLQDZZNTKEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  37
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  93.8
• 氢给体数：
  3
• 氢受体数：
  4

文献信息

• Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections
  申请人：Hedstrom Lizbeth K.

  公开号：US20120101096A1

  公开（公告）日：2012-04-26

  Described herein are compounds, and pharmaceutically acceptable salts and prodrugs thereof, which are useful as inhibitors of IMPDH. In certain embodiments, a compound of the invention selectively inhibits a parasitic IMPDH versus a host IMPDH. Further, the invention provides pharmaceutical compositions comprising one or more compounds of the invention. The invention also relates to methods of treating various parasitic and bacterial infections in mammals. Moreover, the compounds may be used alone or in combination with other therapeutic or prophylactic agents, such as anti-virals, anti-inflammatory agents, antimicrobials and immunosuppressants.

  本文描述了一些化合物，以及其药用盐和前药，这些化合物可用作IMPDH的抑制剂。在某些实施例中，本发明的化合物选择性地抑制寄生物IMPDH而不抑制宿主IMPDH。此外，本发明提供了包含一种或多种本发明化合物的药物组合物。本发明还涉及治疗哺乳动物中各种寄生虫和细菌感染的方法。此外，这些化合物可以单独使用或与其他治疗或预防剂（如抗病毒药物、抗炎药物、抗微生物药物和免疫抑制剂）结合使用。
• US8969342B2
  申请人：——

  公开号：US8969342B2

  公开（公告）日：2015-03-03
• [EN] COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS<br/>[FR] COMPOSÉS ET PROCÉDÉS POUR TRAITER LES INFECTIONS MICROBIENNES GASTRO-INTESTINALES MAMMALIENNES
  申请人：UNIV BRANDEIS

  公开号：WO2010108187A2

  公开（公告）日：2010-09-23

  Described herein are compounds, and pharmaceutically acceptable salts and prodrugs thereof, which are useful as inhibitors of IMPDH. In certain embodiments, a compound of the invention selectively inhibits a parasitic IMPDH versus a host IMPDH. Further, the invention provides pharmaceutical compositions comprising one or more compounds of the invention. The invention also relates to methods of treating various parasitic and bacterial infections in mammals. Moreover, the compounds may be used alone or in combination with other therapeutic or prophylactic agents, such as anti-virals, anti-inflammatory agents, antimicrobials and immunosuppressants.