6-Hydroxymethyl-N-methyl-N-neopentylthiazolo[3,2-a]benzimidazole-2-carboxamide | 603135-51-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 6-Hydroxymethyl-N-methyl-N-neopentylthiazolo[3,2-a]benzimidazole-2-carboxamide
• 英文别名: N-(2,2-dimethylpropyl)-7-(hydroxymethyl)-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
• CAS: 603135-51-9
• 化学式: C₁₇H₂₁N₃O₂S
• 分子量: 331.439
• InChiKey: SDPQNWBYZJJEFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  86.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-Hydroxymethyl-N-methyl-N-neopentylthiazolo[3,2-a]benzimidazole-2-carboxamide 生成 6-formyl-N-methyl-N-neopenthylthiazolo[3,2-a]benzoimidazole-2-carboxamide
  参考文献：
  名称：

  EP1167369

  摘要：

  公开号：
• 作为产物：
  描述：

  6-hydroxymethylthiazolo[3,2-a]benzoimidazole-2-carboxylic acid 、 1,2,2-trimethylpropyl amine hydrochloride 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 4.5h， 生成 6-Hydroxymethyl-N-methyl-N-neopentylthiazolo[3,2-a]benzimidazole-2-carboxamide
  参考文献：
  名称：

  AMINOMETHYL-SUBSTITUTED THIAZOLOBENZIMIDAZOLE DERIVATIVE

  摘要：

  公开号：

  EP1486501B1

文献信息

• Aminomethyl-substituted thiazolobenzimidazole derivative
  申请人：Itahana Hirotsune

  公开号：US20050148642A1

  公开（公告）日：2005-07-07

  This invention relates to the provision of novel aminomethyl-substituted thiazolobenzimidazole derivatives represented by the following general formula (I) or a salt thereof. The aforementioned derivative or a salt thereof has a metabotropic glutamate receptor action and excellent oral activity and is therefore useful as a medicament. (In the formula, R 1 : an oxygen-containing saturated hetero ring or the like, Alk 1 : a lower alkylene, m: 0 or 1, Alk 2 : a lower alkylene which may be substituted with oxo group, n: 0 or 1, X: a bond, O, S or NR 5 , R 3 : H or the like, and R 2 , R 4 , R 5 , R 6 and R 7 : the same or different from one another and each represents H or the like. Provided that R 3 does not represent a lower alkyl or a halogeno-lower alkyl when X is a bond and n is 1. Also, R 4 represents a group other than Me when m is 1, R 1 is OH or OMe and Alk 1 is a C 1-3 alkylene, and further 1) when X is a bond, n is 1 and R 3 is H, or 2) when X is a bond, n is 0 and R 3 is cyclohexane.)

  本发明涉及提供以下一般式（I）或其盐所表示的新型氨甲基取代噻唑苯并咪唑衍生物。上述衍生物或其盐具有代谢型谷氨酸受体作用和良好的口服活性，因此可用作药物。其中，R1：含氧饱和杂环或类似物，Alk1：较低的烷基，m：0或1，Alk2：较低的烷基，可以用氧代基取代，n：0或1，X：键，O，S或NR5，R3：H或类似物，R2，R4，R5，R6和R7：相同或不同，每个代表H或类似物。前提是当X是键且n为1时，R3不代表较低的烷基或卤代较低的烷基。此外，当m为1时，R4代表除Me以外的基团，R1为OH或OMe，Alk1为C1-3烷基，进一步1）当X是键，n为1且R3为H时，或2）当X是键，n为0且R3为环己烷时。
• Aminomethyl-substituted thiazolobenzimidazole compounds
  申请人：Astellas Pharma Inc.

  公开号：US07250429B2

  公开（公告）日：2007-07-31

  This invention relates to the provision of novel aminomethyl-substituted thiazolobenzimidazole derivatives represented by the following general formula (I) or a salt thereof. The aforementioned derivative or a salt thereof has a metabotropic glutamate receptor action and excellent oral activity and is therefore useful as a medicament. (In the formula, R1: an oxygen-containing saturated hetero ring or the like, Alk1: a lower alkylene, m: 0 or 1, Alk2: a lower alkylene which may be substituted with oxo group, n: 0 or 1, X: a bond, O, S or NR5, R3: H or the like, and R2, R4, R5, R6 and R7: the same or different from one another and each represents H or the like. Provided that R3 does not represent a lower alkyl or a halogeno-lower alkyl when X is a bond and n is 1. Also, R4 represents a group other than Me when m is 1, R1 is OH or OMe and Alk1 is a C1-3 alkylene, and further 1) when X is a bond, n is 1 and R3 is H, or 2) when X is a bond, n is 0 and R3 is cyclohexane.)

  本发明涉及一种新型的氨甲基取代的噻唑苯并咪唑衍生物，其通式如下(I)，或其盐。上述衍生物或其盐具有代谢型谷氨酸受体作用和优异的口服活性，因此可用作药物。（在公式中，R1：氧含量饱和杂环等，Alk1：低级烷基，m：0或1，Alk2：可能被氧代基取代的低级烷基，n：0或1，X：键，O，S或NR5，R3：H或类似物，R2，R4，R5，R6和R7：相同或不同，且每个代表H或类似物。前提是当X为键且n为1时，R3不代表低级烷基或卤代低级烷基。此外，当m为1，R1为OH或OMe，Alk1为C1-3烷基时，R4代表Me以外的基团，且进一步1）当X为键，n为1且R3为H时，或2）当X为键，n为0且R3为环己烷时，R4代表其他基团。）
• US7250429B2
  申请人：——

  公开号：US7250429B2

  公开（公告）日：2007-07-31