2,2-dimethylpropionic acid [7-(2-chlorophenyl)-1-methyl-2,6-dioxo-1,2,6,7-tetrahydropurin-3-yl]methyl ester | 635722-50-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 2,2-dimethylpropionic acid [7-(2-chlorophenyl)-1-methyl-2,6-dioxo-1,2,6,7-tetrahydropurin-3-yl]methyl ester
• 英文别名: [7-(2-chlorophenyl)-1-methyl-2,6-dioxo-1,2,6,7-tetrahydropurin-3-yl]methyl 2,2-dimethylopropionate；[7-(2-chlorophenyl)-1-methyl-2,6-dioxo-1,2,6,7-tetrahydropurin-3-yl]methyl 2,2-dimethylpropionate；[7-(2-chlorophenyl)-1-methyl-2,6-dioxopurin-3-yl]methyl 2,2-dimethylpropanoate
• CAS: 635722-50-8
• 化学式: C₁₈H₁₉ClN₄O₄
• 分子量: 390.826
• InChiKey: UICVVNQQOOFSFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  84.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,2-dimethylpropionic acid [7-(2-chlorophenyl)-1-methyl-2,6-dioxo-1,2,6,7-tetrahydropurin-3-yl]methyl ester 生成 4-[7-(2-chlorophenyl)-3-(2,2-dimethyl-propionyloxymethyl)-1-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Xanthine derivatives as DPP-IV inhibitors

  摘要：

  公开号：

  EP1338595B1
• 作为产物：
  描述：

  [1-methyl-2,6-dioxo-1,2,6,7-tetrahydropurin-3-yl]methyl 2,2-dimethylpropionate 生成 2,2-dimethylpropionic acid [7-(2-chlorophenyl)-1-methyl-2,6-dioxo-1,2,6,7-tetrahydropurin-3-yl]methyl ester
  参考文献：
  名称：

  Xanthine derivatives as DPP-IV inhibitors

  摘要：

  公开号：

  EP1338595B1

文献信息

• Condensed imidazole derivatives
  申请人：Eisai Co., Ltd.

  公开号：US20040116328A1

  公开（公告）日：2004-06-17

  The present invention is related to compounds represented by the following formula, or salts or hydrates thereof 1 wherein, T 1 represents a 4- to 12-membered heterocyclic group containing one or two nitrogen atoms in the ring, which is a monocyclic or bicyclic structure that may have one or more substituents; X represents a C 1-6 alkyl group which may have one or more substituents, or such; Z 1 and Z 2 each independently represent a nitrogen atom or a group represented by the formula —CR 2 —; R 1 and R 2 independently represent a hydrogen atom, a C 1-6 alkyl group which may have one or more substituents, or a C 1-6 alkoxy group which may have one or more substituents, or such. These are novel compounds that exhibit an excellent DPPIV-inhibiting activity.

  本发明涉及以下公式所代表的化合物，或其盐或水合物 其中， T 1 代表一个含有一个或两个氮原子的4-至12-成员杂环基团，在环中是单环或双环结构，可能具有一个或多个取代基; X代表一个C 1-6 烷基基团，可能具有一个或多个取代基，或类似物; Z 1 和Z 2 各自独立地代表一个氮原子或由公式—CR 2 —所代表的基团; R 1 和R 2 独立地代表氢原子，一个C 1-6 烷基基团，可能具有一个或多个取代基，或一个C 1-6 烷氧基基团，可能具有一个或多个取代基，或类似物。 这些是表现出优异DPPIV抑制活性的新颖化合物。
• PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS
  申请人：Muramoto Kenzo

  公开号：US20070219178A1

  公开（公告）日：2007-09-20

  The preventive or therapeutic agents of the present invention for multiple sclerosis comprise compounds represented by the following formula (I), or salts or hydrates thereof, [wherein, T 1 , X, Z 1 , Z 2 , and R 1 have the same meaning as T 1 , X, Z 1 , Z 2 , and R 1 in this application].

  本发明的预防或治疗多发性硬化症的药剂包括由以下式（I）所代表的化合物，或其盐或水合物，[其中，T1、X、Z1、Z2和R1的含义与本申请中的T1、X、Z1、Z2和R1相同]。
• Combination drug
  申请人：Yasuda Nobuyuki

  公开号：US20060094722A1

  公开（公告）日：2006-05-04

  The present invention provides pharmaceutical agents comprising a dipeptidyl peptidase IV (DPPIV) inhibitor and a biguanide agent in combination, which enhance the effects of active circulating glucagon-like peptide-1 (GLP-1) and/or active circulating glucagon-like peptide-2 (GLP-2).

  本发明提供了一种药物制剂，包括二肽基肽酶IV（DPPIV）抑制剂和双胍类药物的组合，其增强了活性循环胰高血糖素样肽-1（GLP-1）和/或活性循环胰高血糖素样肽-2（GLP-2）的效果。
• Novel condensed imidazole derivatives
  申请人：Yoshikawa Seiji

  公开号：US20060100199A1

  公开（公告）日：2006-05-11

  The present invention is related to compounds represented by the following formula, or salts or hydrates thereof wherein, T 1 represents a 4- to 12-membered heterocyclic group containing one or two nitrogen atoms in the ring, which is a monocyclic or bicyclic structure that may have one or more substituents; X represents a C 1-6 alkyl group which may have one or more substituents, or such; Z 1 and Z 2 each independently represent a nitrogen atom or a group represented by the formula —CR 2 —; R 1 and R 2 independently represent a hydrogen atom, a C 1-6 alkyl group which may have one or more substituents, or a C 1-6 alkoxy group which may have one or more substituents, or such. These are novel compounds that exhibit an excellent

  本发明涉及以下式子所表示的化合物、盐或水合物：其中，T1代表一个含有一个或两个氮原子的4-至12元杂环基团，它是一个单环或双环结构，可能有一个或多个取代基；X代表一个C1-6烷基基团，它可能有一个或多个取代基，或者如此；Z1和Z2各自独立地代表一个氮原子或者由公式—CR2—所表示的基团；R1和R2各自独立地代表一个氢原子，一个C1-6烷基基团，它可能有一个或多个取代基，或者一个C1-6烷氧基基团，它可能有一个或多个取代基，或者如此。这些是新颖的化合物，具有优异的性能。
• CONDENSED IMIDAZOLE DERIVATIVES
  申请人：Yoshikawa Seiji

  公开号：US20090018331A1

  公开（公告）日：2009-01-15

  The present invention is related to compounds represented by the following formula, or salts or hydrates thereof wherein, T 1 represents a 4- to 12-membered heterocyclic group containing one or two nitrogen atoms in the ring, which is a monocyclic or bicyclic structure that may have one or more substituents; X represents a C 1-6 alkyl group which may have one or more substituents, or such; Z 1 and Z 2 each independently represent a nitrogen atom or a group represented by the formula —CR 2 —; R 1 and R 2 independently represent a hydrogen atom, a C 1-6 alkyl group which may have one or more substituents, or a C 1-6 alkoxy group which may have one or more substituents, or such. These are novel compounds that exhibit an excellent DPPIV-inhibiting activity.

  本发明涉及下式所示的化合物、盐或水合物： 其中， T1表示一个4-到12成员的杂环基团，在环中含有一个或两个氮原子，是单环或双环结构，可以有一个或多个取代基； X表示一个C1-6烷基基团，可以有一个或多个取代基； Z1和Z2各自独立地表示一个氮原子或由公式—CR2—表示的基团； R1和R2各自独立地表示氢原子、一个C1-6烷基基团，可以有一个或多个取代基，或一个C1-6烷氧基基团，可以有一个或多个取代基。 这些是具有出色的DPPIV抑制活性的新型化合物。