2-chloro-5-[({1-[3-(1-(hydroxyimino)ethyl)phenyl]-1-methylethyl}amino)carbonyl]aminobenzamide | 1245750-31-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-chloro-5-[({1-[3-(1-(hydroxyimino)ethyl)phenyl]-1-methylethyl}amino)carbonyl]aminobenzamide
• 英文别名: P32；2-chloro-5-[2-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]propan-2-ylcarbamoylamino]benzamide
• CAS: 1245750-31-5
• 化学式: C₁₉H₂₁ClN₄O₃
• 分子量: 388.854
• InChiKey: NRJRCKIOCQMNMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.69
• 重原子数：
  27.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  116.81
• 氢给体数：
  4.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-chloro-5-[({1-[3-(1-(hydroxyimino)ethyl)phenyl]-1-methylethyl}amino)carbonyl]aminobenzamide 、 cystathionine β-synthetase domain mutant of inosine 5'-monophosphate dehydrogenase from Bacillus anthracis, deleted [Glu-92 - Arg-220] was replaced by Gly-Gly 、 5’-肌苷酸 生成 (cystathionine β-synthetase domain mutant of inosine 5'-monophosphate dehydrogenase from Bacillus anthracis, deleted [Glu-92 - Arg-220] was replaced by Gly-Gly) complex with inosine 5'-monophosphate and 2-chloro-5-[({1-[3-(1-(hydroxyimino)ethyl)phenyl]-1-methylethyl}amino)carbonyl]aminobenzamide
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS
  申请人：Brandeis University

  公开号：US20150210727A1

  公开（公告）日：2015-07-30

  Disclosed are compounds and pharmaceutically acceptable salts thereof, which are useful as inhibitors of IMPDH. In certain embodiments, a compound selectively inhibits a parasitic IMPDH versus a host IMPDH. Also disclosed are pharmaceutical compositions comprising one or more compounds of the invention. Related methods of treating various parasitic and bacterial infections in mammals are disclosed. 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.

  本发明公开了一种化合物及其药学上可接受的盐，它们可用作IMPDH的抑制剂。在某些实施例中，该化合物选择性地抑制寄生IMPDH而不影响宿主IMPDH。本发明还公开了包含本发明中一种或多种化合物的制药组合物。公开了治疗哺乳动物中各种寄生虫和细菌感染的相关方法。此外，这些化合物可单独或与其他治疗或预防药物，如抗病毒药物、抗炎药物、抗微生物药物和免疫抑制剂一起使用。
• US9447134B2
  申请人：——

  公开号：US9447134B2

  公开（公告）日：2016-09-20