1-(3,5-Ditert-butyl-4-hydroxyphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrochloride

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(3,5-Ditert-butyl-4-hydroxyphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrochloride
• 化学式: C24H32ClN3O2
• 分子量: 430.0
• InChiKey: VSBHVYCSXSVOGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.06
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  67.6
• 氢给体数：
  3
• 氢受体数：
  3

文献信息

• Mycobacterial disease detection, treatment, and drug discovery
  申请人：THE UAB RESEARCH FOUNDATION

  公开号：EP2535426A2

  公开（公告）日：2012-12-19

  A method of detecting a tuberculosis infection in a subject comprising detecting one or more polypeptides.

  一种检测受试者是否感染结核病的方法，包括检测一种或多种多肽。
• MYCOBACTERIAL DISEASE DETECTION, TREATMENT, AND DRUG DISCOVERY
  申请人：THE UAB RESEARCH FOUNDATION

  公开号：EP1996732A2

  公开（公告）日：2008-12-03
• Mycobacterial Disease Detection, Treatment, and Drug Discovery
  申请人：The UAB Research Foundation

  公开号：US20140163078A1

  公开（公告）日：2014-06-12

  Methods for detecting and treating Mycobacterium -related diseases including reducing Mycobacterial virulence, reducing RV3133c dimerization, and treating a subject with a Mycobacterial infection using identified compounds are disclosed. Examples of compounds useful in the treatment of Mycobacterium -related diseases include N-(4-[(acetylamino)sulfonyl]phenyl)-3-phenylpropanamide; 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-methyl-2,3-dihydro-1H-benzimidazol-1yl)ethanone hydrochloride; and 1-(1,3-benzoxazol-2-yl)-3-(4-[(2-hydroxyethyl)sulfonyl]phenyl}amino)acrylaldehyde. Further disclosed are methods for identifying agents that interact with a polypeptide in a Mycobacterium cell.
• US8603751B2
  申请人：——

  公开号：US8603751B2

  公开（公告）日：2013-12-10
• [EN] MYCOBACTERIAL DISEASE DETECTION, TREATMENT, AND DRUG DISCOVERY<br/>[FR] DETECTION, TRAITEMENT DE MALADIES MYCOBACTERIENNES ET DECOUVERTE DE MEDICAMENTS
  申请人：UAB RESEARCH FOUNDATION

  公开号：WO2007101274A2

  公开（公告）日：2007-09-07

  [EN] Methods for detecting and treating Mycobacterium-related diseases including reducing Mycobacterial virulence, reducing RV3133c dimerization, and treating a subject with a Mycobacterial infection using identified compounds are disclosed. Examples of compounds useful in the treatment of Mycobacterium-related diseases include N-(4-[(acetylamino)sulfonyl]phenyl)-3-phenylpropanamide; 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-methyl-2,3-dihydro-1H-benzimidazol-1yl)ethanone hydrochloride; and 1-(1,3-benzoxazol-2-yl)-3-(4-[(2-hydroxyethyl)sulfonyl]phenyl}amino)acrylaldehyde. Further disclosed are methods for identifying agents that interact with a polypeptide in a Mycobacterium cell.
  [FR] L'invention concerne des procédés pour détecter et traiter des maladies liées aux mycobactéries comprenant la réduction de la virulence mycobacrérienne, la réduction de la dimérisation de RV3133c, et le traitement d'un sujet souffrant d'une infection mycobactérienne au moyen des composés identifiés. N-(4-[(acétylamino)sulfonyl]phényl)-3-phénylpropanamide; l'hydrochlorure de 1-(3,5-di-tert-butyl-4-hydroxyphényl)-2-(2-imino-3-méthyl-2,3-dihydro-1H-benzimidazol-1yl)éthanone; et 1-(1,3-benzoxazol-2-yl)-3-(4-[(2-hydroxyéthyl)sulfonyl]phényl}amino)acrylaldéhyde sont des exemples des composés utilisés dans le traitement des maladies liées aux mycobactéries. L'invention concerne, de plus, des procédés permettant l'identification d'agents qui entrent en interaction avec un polypeptide dans une cellule de la mycobactérie.