2-Chlorobenzaldehyde (6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)hydrazone

• 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-Chlorobenzaldehyde (6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)hydrazone
• 英文别名: 3-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
• 化学式: C₁₁H₁₀ClN₅O
• 分子量: 263.68
• InChiKey: RJADAQKCHSOGND-AWNIVKPZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  78.2
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• [EN] NOVEL THERAPEUTIC USES OF BENZYLIDENEGUANIDINE DERIVATIVES FOR THE TREATMENT OF PROTEOPATHIES<br/>[FR] NOUVELLES UTILISATIONS THÉRAPEUTIQUES DE DÉRIVÉS DE LA BENZYLIDÈNE-GUANIDINE DANS LE TRAITEMENT DE PROTÉOPATHIES
  申请人：INFLECTIS BIOSCIENCE

  公开号：WO2016001389A1

  公开（公告）日：2016-01-07

  The present invention relates to novel uses of a compound of formula (I), or a tautomer and/or a pharmaceutically acceptable salt thereof, in treating a disorder associated with the PPP1R15A pathway and associated with protein misfolding stress and in particular with accumulation of misfolded proteins selected in the group of tauopathies, synucleinopathies, polyglutamine and polyalanine diseases, leukodystrophies, cystic fibrosis, multiple sclerosis, lysosomal storage disorders, amyloidosis diseases, inflammation, metabolic disorders, cardio-vascular disorders, osteoporosis, nervous system trauma, ischemia.

  本发明涉及一种化合物（I）的新用途，或其互变异构体和/或药用盐，在治疗与PPP1R15A途径相关的紊乱，与蛋白质错误折叠应激相关，特别是与在tau病、α-突触核蛋白病、多聚谷氨酸和多聚丙氨酸疾病、白质病、囊性纤维化、多发性硬化、溶酶体贮积疾病、淀粉样变性疾病、炎症、代谢紊乱、心血管疾病、骨质疏松症、神经系统创伤、缺血等相关的错误折叠蛋白的积累。
• Therapeutic uses of benzylideneguanidine derivatives for the treatment of proteopathies
  申请人：InFlectis BioScience

  公开号：US10709677B2

  公开（公告）日：2020-07-14

  The present invention relates to novel uses of a compound of formula (I), or a tautomer and/or a pharmaceutically acceptable salt thereof, in treating a disorder associated with the PPP1R15A pathway and associated with protein misfolding stress and in particular with accumulation of misfolded proteins selected in the group of tauopathies, synucleinopathies, polyglutamine and polyalanine diseases, leukodystrophies, cystic fibrosis, multiple sclerosis, lysosomal storage disorders, amyloidosis diseases, inflammation, metabolic disorders, cardio-vascular disorders, osteoporosis, nervous system trauma, ischemia.

  本发明涉及式（I）化合物或其同系物和/或其药学上可接受的盐在治疗与 PPP1R15A 通路相关且与蛋白质错误折叠应激相关的疾病中的新用途，特别是与选自牛磺酸病、多谷氨酰胺和多丙氨酸疾病、白质营养不良、囊性纤维化、多发性硬化症、溶酶体贮存疾病、淀粉样变性疾病中的错误折叠蛋白质累积相关的疾病中的新用途、突触核蛋白病、多谷氨酰胺和多丙氨酸疾病、白质营养不良、囊性纤维化、多发性硬化、溶酶体贮存紊乱、淀粉样变性疾病、炎症、代谢紊乱、心血管疾病、骨质疏松症、神经系统创伤、缺血。
• Benzylideneguanidine derivatives and therapeutic use for the treatment of protein misfolding diseases
  申请人：United Kingdom Research and Innovation

  公开号：US10954198B2

  公开（公告）日：2021-03-23

  The present invention relates to a compound of formula (I), or a tautomer and/or a pharmaceutically acceptable salt thereof, wherein: R1 is alkyl, Cl, F or Br; R2 is H or F; R3 is selected from H and alkyl; R4 is selected from H and C(O)R6; R5 is H; or R4 and R5 are linked to form a heterocyclic group which is optionally substituted with one or more R10 groups; R6 is selected from R7, OR7 and NR8R9; R7, R8 and R9 are each independently selected from alkyl, cycloalkyl, aralkyl, cycloalkenyl, heterocyclyl and aryl, each of which is optionally substituted with one or more R10 groups; each R10 is independently selected from halogen, OH, CN, NO2, COO-alkyl, aralkyl, SO2-alkyl, SO2-aryl, COOH, CO-alkyl, CO-aryl, NH2, NH-alkyl, N(alkyl)2, CF3, alkyl and alkoxy; X and Z are each independently CR11, and Y is selected from CR11 and N; and R11 is H or F; for use in treating a disorder associated with protein misfolding stress and in particular associated with accumulation of misfolded proteins.

  本发明涉及式(I)化合物或其同系物和/或药学上可接受的盐，其中：R1 是烷基、Cl、F 或 Br；R2 是 H 或 F；R3 选自 H 和烷基；R4 选自 H 和 C(O)R6；R5 是 H；或 R4 和 R5 连接形成杂环基团，该杂环基团任选被一个或多个 R10 基团取代；R6选自R7、OR7和NR8R9；R7、R8和R9各自独立地选自烷基、环烷基、芳基、环烯基、杂环烯基和芳基，其中每个基团都可选择被一个或多个R10基团取代；每个 R10 独立地选自卤素、OH、CN、NO2、COO-烷基、芳基、SO2-烷基、SO2-芳基、COOH、CO-烷基、CO-芳基、NH2、NH-烷基、N(烷基)2、CF3、烷基和烷氧基；X 和 Z 各自独立地为 CR11，Y 选自 CR11 和 N；R11 为 H 或 F；用于治疗与蛋白质错误折叠应激有关的疾病，特别是与错误折叠蛋白质的积累有关的疾病。
• NOVEL THERAPEUTIC USES OF BENZYLIDENEGUANIDINE DERIVATIVES FOR THE TREATMENT OF PROTEOPATHIES
  申请人：InFlectis BioScience

  公开号：EP3164123B1

  公开（公告）日：2020-05-20
• Benzylideneguanidine Derivatives and Therapeutic Use for the Treatment of Protein Misfolding Diseases
  申请人：Medical Research Council

  公开号：US20170247344A1

  公开（公告）日：2017-08-31

  The present invention relates to a compound of formula (I), or a tautomer and/or a pharmaceutically acceptable salt thereof, wherein: R 1 is alkyl, Cl, F or Br; R 2 is H or F; R 3 is selected from H and alkyl; R 4 is selected from H and C(O)R 6 ; R 5 is H; or R 4 and R 5 are linked to form a heterocyclic group which is optionally substituted with one or more R 10 groups; R 6 is selected from R 7 , OR 7 and NR 8 R 9 ; R 7 , R 8 and R 9 are each independently selected from alkyl, cycloalkyl, aralkyl, cycloalkenyl, heterocyclyl and aryl, each of which is optionally substituted with one or more R 10 groups; each R 10 is independently selected from halogen, OH, CN, NO 2 , COO-alkyl, aralkyl, SO 2 -alkyl, SO 2 -aryl, COOH, CO-alkyl, CO-aryl, NH 2 , NH-alkyl, N(alkyl) 2 , CF 3 , alkyl and alkoxy; X and Z are each independently CR 11 , and Y is selected from CR 11 and N; and R 11 is H or F; for use in treating a disorder associated with protein misfolding stress and in particular associated with accumulation of misfolded proteins.