N-[3-methyl-1-(3-(o-methylphenyl)thioureido)butyl]cinnamamide

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: N-[3-methyl-1-(3-(o-methylphenyl)thioureido)butyl]cinnamamide
• 英文别名: (E)-N-[3-methyl-1-[(2-methylphenyl)carbamothioylamino]butyl]-3-phenylprop-2-enamide
• 化学式: C₂₂H₂₇N₃OS
• 分子量: 381.542
• InChiKey: OUWUIDGJELXUOZ-BUHFOSPRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  85.2
• 氢给体数：
  3
• 氢受体数：
  2

文献信息

• Novel Urea Compounds, Preparation Methods and Uses Thereof
  申请人：INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA

  公开号：US20160311767A1

  公开（公告）日：2016-10-27

  The invention provides a compound of Formula I, an isomer, a pharmaceutically acceptable salt, or a solvate thereof, and use thereof in manufacture of a medicament for preventing and/or treating a drug-resistant tumor or disease or disorder caused by a drug-resistant bacterium, or use thereof in manufacture of a medicament for preventing and/or treating a tumor, a neurodegenerative disease, an allogeneic graft rejection, or an infection-associated disease or disorder; preferably, the tumor, neurodegenerative disease, allogeneic graft rejection, or infection-associated disease or disorder is a disease or disorder caused by Heat shock protein 70 (Hsp70). The compounds of the invention, which are a class of Hsp70 inhibitors having a novel structure and a high activity, solve the problem concerning drug resistance of tumors, enhance the effect of treating tumors, and provide a new medical strategy for treatment of tumors in clinic.

  本发明提供了一种公式I的化合物、其异构体、药学上可接受的盐或其溶剂，以及在制造用于预防和/或治疗耐药肿瘤或由耐药细菌引起的疾病或紊乱的药物中的使用，或在制造用于预防和/或治疗肿瘤、神经退行性疾病、同种移植排斥或感染相关的疾病或紊乱的药物中的使用；优选地，肿瘤、神经退行性疾病、同种移植排斥或感染相关的疾病或紊乱是由热休克蛋白70（Hsp70）引起的疾病或紊乱。本发明的化合物是一类具有新颖结构和高活性的Hsp70抑制剂，解决了肿瘤耐药性的问题，增强了治疗肿瘤的效果，并为临床肿瘤治疗提供了新的医学策略。
• NEW UREA COMPOUND, MANUFACTURING METHOD AND APPLICATION THEREOF
  申请人：Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China

  公开号：EP3085690A1

  公开（公告）日：2016-10-26

  The invention provides a compound of Formula I, an isomer, a pharmaceutically acceptable salt, or a solvate thereof, and use thereof in manufacture of a medicament for preventing and/or treating a drug-resistant tumor or disease or disorder caused by a drug-resistant bacterium, or use thereof in manufacture of a medicament for preventing and/or treating a tumor, a neurodegenerative disease, an allogeneic graft rejection, or an infection-associated disease or disorder; preferably, the tumor, neurodegenerative disease, allogeneic graft rejection, or infection-associated disease or disorder is a disease or disorder caused by Heat shock protein 70 (Hsp70). The compounds of the invention, which are a class of Hsp70 inhibitors having a novel structure and a high activity, solve the problem concerning drug resistance of tumors, enhance the effect of treating tumors, and provide a new medical strategy for treatment of tumors in clinic.

  本发明提供了一种式 I 的化合物、异构体、药学上可接受的盐或其溶解物，及其在制造预防和/或治疗耐药肿瘤或由耐药细菌引起的疾病或紊乱的药物中的用途，或其在制造预防和/或治疗肿瘤、神经退行性疾病、异体移植物排斥反应或感染相关疾病或紊乱的药物中的用途；优选地，肿瘤、神经退行性疾病、异体移植物排斥反应或感染相关疾病或紊乱是由热休克蛋白70（Hsp70）引起的疾病或紊乱。本发明化合物是一类结构新颖、活性较高的Hsp70抑制剂，解决了肿瘤耐药性问题，提高了治疗肿瘤的效果，为临床治疗肿瘤提供了一种新的医疗策略。
• [EN] NEW UREA COMPOUND, MANUFACTURING METHOD AND APPLICATION THEREOF<br/>[FR] NOUVEAU COMPOSÉ D'URÉE, SON PROCÉDÉ DE PRODUCTION ET SON APPLICATION<br/>[ZH] 新型脲类化合物、制备方法及其用途
  申请人：INST PHARM & TOXICOLOGY AMMS

  公开号：WO2015090209A1

  公开（公告）日：2015-06-25

  本发明提供通式I化合物、其异构体、可药用盐或溶剂化物，及其用于制备预防和/或治疗耐药性肿瘤或与耐药性细菌引起的疾病或病症的药物或用于制备预防和/或治疗肿瘤、神经退行性疾病、异源移植的排斥反应、与感染有关的疾病或症状的药物中的用途；优选地，所述肿瘤、神经退行性疾病、异源移植的排斥反应、与感染有关的疾病或症状为热休克蛋白70(Hsp70)引起的疾病或症状。本发明化合物是一类具有全新结构的高活性的Hsp70抑制剂，用以克服肿瘤耐药的难题、提高肿瘤治疗效果，为临床肿瘤治疗提供新的医学策略。
• US9718770B2
  申请人：——

  公开号：US9718770B2

  公开（公告）日：2017-08-01