6-chloromethyl-N-methyl-N-neopentylthiazolo[3,2-a]benzimidazole-2-carboxamide hydrochloride | 299901-56-7

• 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-chloromethyl-N-methyl-N-neopentylthiazolo[3,2-a]benzimidazole-2-carboxamide hydrochloride
• 英文别名: 6-chloromethyl-N-methyl-N-neopentylthiazolo[3,2-a]benzoimidazole-2-carboxamide hydrochloride；7-(chloromethyl)-N-(2,2-dimethylpropyl)-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride
• CAS: 299901-56-7
• 化学式: C₁₇H₂₀ClN₃OS*ClH
• 分子量: 386.345
• InChiKey: BBDGCOFNDBNLTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.83
• 重原子数：
  24
• 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：
  65.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-吗啉乙醇 、 6-chloromethyl-N-methyl-N-neopentylthiazolo[3,2-a]benzimidazole-2-carboxamide hydrochloride 在 sodium hydride 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 生成 N-methyl-6-[(2-morpholin-4-ylethoxy)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
• 作为产物：
  描述：

  6-Hydroxymethyl-N-methyl-N-neopentylthiazolo[3,2-a]benzimidazole-2-carboxamide 在 N,N-二甲基甲酰胺 氯化亚砜 作用下， 反应 0.5h， 生成 6-chloromethyl-N-methyl-N-neopentylthiazolo[3,2-a]benzimidazole-2-carboxamide hydrochloride
  参考文献：
  名称：

  AMINOMETHYL-SUBSTITUTED THIAZOLOBENZIMIDAZOLE DERIVATIVE

  摘要：

  公开号：

  EP1486501B1

文献信息

• Thiazolobenzoimidazole derivatives
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US06642264B1

  公开（公告）日：2003-11-04

  This invention relates to novel thiazolo[3,2-a]benzoimidazole derivatives represented by the following general formula (I). The compounds provided by the invention act specifically on metabotropic glutamate receptors and are used as medicaments. The invention also provides novel compounds useful as intermediates for the synthesis of the compounds of the invention. (Symbols in the formula represent the following meanings. R1: carbamoyl, carbonyl, oxy, amino, carbonylamino or the like which may be substituted; R2: hydrogen, lower alkyl or the like; and R3, R4 and R5: hydrogen, lower alkyl and the like which may be the same or different from one another.)

  这项发明涉及一种由以下一般式（I）表示的新型噻唑并［3,2-a］苯并咪唑衍生物。本发明提供的化合物特异地作用于代谢型谷氨酸受体，并用作药物。该发明还提供了作为该发明化合物合成中间体的新化合物。在公式中，符号代表以下含义。R1：可取代的羰酰胺、羰基、氧、氨基、羰基氨基等；R2：氢、较低烷基等；R3、R4和R5：氢、较低烷基等，可以相同也可以不同。
• 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。
• NOVEL THIAZOLOBENZIMIDAZOLE DERIVATIVES
  申请人：YAMANOUCHI PHARMACEUTICAL CO. LTD.

  公开号：EP1167369A1

  公开（公告）日：2002-01-02

  Novel thiazolo[3,2-a]benzimidazol derivatives represented by general formula (1), which act specifically on metabotropic glutamate receptors and are useful as drugs; and novel compounds useful as intermediates for the synthesis of the derivatives wherein, R1 is optionally substituted carbamoyl, carbonyl, oxy, amino, carbonylamino, or the like; R2 is hydrogen, lower alkyl, or the like; and R3, R4 and R5 are each independently hydrogen, lower alkyl, or the like.

  通式（1）代表的新型噻唑并[3,2-a]苯并咪唑衍生物，可特异性作用于代谢型谷氨酸受体并可用作药物；以及可用作合成这些衍生物的中间体的新型化合物，其中，R1 是任选取代的氨基甲酰基、羰基、氧基、氨基、羰基氨基或类似物；R2 是氢、低级烷基或类似物；R3、R4 和 R5 各自独立地是氢、低级烷基或类似物。
• US6642264B1
  申请人：——

  公开号：US6642264B1

  公开（公告）日：2003-11-04
• US7250429B2
  申请人：——

  公开号：US7250429B2

  公开（公告）日：2007-07-31