N-[(Z)-N-(pyridin-3-yl)carboximidoyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide, K

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: N-[(Z)-N-(pyridin-3-yl)carboximidoyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide, K
• 英文别名: N-(pyridin-3-yliminomethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
• 化学式: C₁₅H₁₃N₃O₃
• 分子量: 283.28
• InChiKey: MGSSUFYEWTYDCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

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

  公开号：US20100022547A1

  公开（公告）日：2010-01-28

  One aspect of the present invention relates to compounds, and pharmaceutically acceptable salts and prodrugs thereof, that are useful as inhibitors of IMPDH. The invention also provides pharmaceutical compositions comprising the compounds of the invention which selectively inhibit parasitic IMPDH. In certain embodiments, the present invention relates to selective inhibition of C. parvum inosine-5′-monophosphate-dehydrogenase over human inosine-5′-monophosphate-dehydrogenase (IMPDH type I and type II). These compounds may be used alone or in combination with other therapeutic or prophylactic agents, such as anti-virals, anti-inflammatory agents, antimicrobials and immunosuppressants.
• [EN] COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL PARASITIC INFECTIONS<br/>[FR] COMPOSÉS ET PROCÉDÉS DE TRAITEMENT DES INFECTIONS PARASITAIRES GASTRO-INTESTINALES DES MAMMIFÈRES
  申请人：BRANDEIS UNIVERSITY MS134

  公开号：WO2007143557A2

  公开（公告）日：2007-12-13

  [EN] One aspect of the present invention relates to compounds, and pharmaceutically acceptable salts and prodrugs thereof, that are useful as inhibitors of IMPDH. The invention also provides pharmaceutical compositions comprising the compounds of the invention which selectively inhibit parasitic IMPDH. In certain embodiments, the present invention relates to selective inhibition of C. parvum inosine-5'-monophosphate-dehydrogenase over human inosine-5'-monophosphate-dehydrogenase (IMPDH type I and type II). These compounds may be used alone or in combination with other therapeutic or prophylactic agents, such as anti-virals, anti-inflammatory agents, antimicrobials and immunosuppressants.
  [FR] Selon un premier aspect, la présente invention concerne des composés et leurs sels et promédicaments pharmaceutiquement acceptables qui sont utilisables en tant qu'inhibiteurs de l'IMPDH. L'invention concerne également des compositions pharmaceutiques comprenant les composés de l'invention qui inhibent sélectivement l'IMPDH de parasites. Selon certains modes de réalisation, la présente invention concerne l'inhibition sélective de l'inosine-5'-monophosphate-déshydrogénase de Cryptosporidium parvum de préférence à l'inosine-5'-monophosphate-déshydrogénase humaine (IMPDH de type I et de type II). Ces composés peuvent être utilisés seuls ou en combinaison avec d'autres agents thérapeutiques ou prophylactiques tels que des antiviraux, des agents anti-inflammatoires, des antimicrobiens et des immunosuppresseurs.