5-(1,1-二甲基丙基)-1,3,4-噻二唑-2-胺 | 89881-38-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 5-(1,1-二甲基丙基)-1,3,4-噻二唑-2-胺
• 英文名称: 5-(1,1-Dimethylpropyl)-1,3,4-thiadiazol-2-amine
• 英文别名: 5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-amine
• CAS: 89881-38-9
• 化学式: C₇H₁₃N₃S
• mdl: MFCD02612282
• 分子量: 171.27
• InChiKey: ORIWBDUUQYFUBC-UHFFFAOYSA-N

物化性质

• 沸点：
  287.1±23.0 °C(Predicted)
• 密度：
  1.135±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  80
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2934999090

文献信息

• Inhibitors
  申请人：VIVORYON THERAPEUTICS N.V.

  公开号：US11339152B2

  公开（公告）日：2022-05-24

  The invention relates to a compound of formula (I): A-B-D-E (I) or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof, wherein: A is selected from monocyclic and bicyclic heteroaryl, which may independently substituted by alkyl or amino; B is selected from alkyl, heteroalkyl, alkyl-amino, aryl, heteroaryl, cycloalkyl, heterocyclyl and alkylene, wherein said groups may independently be substituted by alkyl; D is selected from aryl-amino, heteroaryl-amino, cycloalkyl-amino, heterocyclyl, heterocyclyl-amino, urea, thioamide, thiourea, sulfonamide, sulfoximine and sulfamoyl, wherein said aryl, heteroaryl, cycloalkyl and heterocyclyl groups may independently be substituted; and E is selected from aryl, heteroaryl, cycloalkyl, heterocyclyl, wherein said aryl, heteroaryl, cycloalkyl and heterocyclyl groups may independently be substituted. The compounds of formula (I) are inhibitors of glutaminyl cyclase (QC, EC 2.3.2.5). QC catalyzes the intramolecular cyclization of N-terminal glutamine residues into pyroglutamic acid (5-oxo-prolyl, pGlu*) under liberation of ammonia and the intramolecular cyclization of N-terminal glutamate residues into pyroglutamic acid under liberation of water.

  本发明涉及一种式(I)化合物：A-B-D-E (I)或其药学上可接受的盐、溶液或多晶型物，包括其所有同分异构体和立体异构体，其中：A 选自单环和双环杂芳基，它们可独立地被烷基或氨基取代；B 选自烷基、杂烷基、烷基氨基、芳基、杂芳基、环烷基、杂环烷基和亚烷基，其中所述基团可独立地被烷基取代；D 选自芳基-氨基、杂芳基-氨基、环烷基-氨基、杂环基、杂环基-氨基、脲、硫酰胺、硫脲、磺酰胺、亚磺酰亚胺和氨基磺酰基，其中所述芳基、杂芳基、环烷基和杂环基可独立地被取代；E 选自芳基、杂芳基、环烷基和杂环烷基，其中所述芳基、杂芳基、环烷基和杂环烷基可独立地被取代。式（I）化合物是谷氨酰胺酰环化酶（QC，EC 2.3.2.5）的抑制剂。QC 催化 N 端谷氨酰胺残基在氨释放下分子内环化为焦谷氨酸（5-氧代-脯氨酰，pGlu*），并催化 N 端谷氨酸残基在水释放下分子内环化为焦谷氨酸。
• NOVEL INHIBITORS
  申请人：Probiodrug AG

  公开号：US20200377493A1

  公开（公告）日：2020-12-03

  The invention relates to a compound of formula (I): A-B-D-E (I) or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof, wherein: A is selected from monocyclic and bicyclic heteroaryl, which may independently substituted by alkyl or amino; B is selected from alkyl, heteroalkyl, alkyl-amino, aryl, heteroaryl, cycloalkyl, heterocyclyl and alkylene, wherein said groups may independently be substituted by alkyl; D is selected from aryl-amino, heteroaryl-amino, cycloalkyl-amino, heterocyclyl, heterocyclyl-amino, urea, thioamide, thiourea, sulfonamide, sulfoximine and sulfamoyl, wherein said aryl, heteroaryl, cycloalkyl and heterocyclyl groups may independently be substituted; and E is selected from aryl, heteroaryl, cycloalkyl, heterocyclyl, wherein said aryl, heteroaryl, cycloalkyl and heterocyclyl groups may independently be substituted. The compounds of formula (I) are inhibitors of glutaminyl cyclase (QC, EC 2.3.2.5). QC catalyzes the intramolecular cyclization of N-terminal glutamine residues into pyroglutamic acid (5-oxo-prolyl, pGlu*) under liberation of ammonia and the intramolecular cyclization of N-terminal glutamate residues into pyroglutamic acid under liberation of water.