2-(4-chloro-2,5-difluorophenyl)-4-oxo-3,5,6,7,-tetrahydro-4H-pyrrolo[3,4-d]pyrimidine-6-carboxylate | 885038-86-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 2-(4-chloro-2,5-difluorophenyl)-4-oxo-3,5,6,7,-tetrahydro-4H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
• 英文别名: tert-butyl 2-(4-chloro-2,5-difluorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidine-6-carboxylate；tert-butyl 2-(4-chloro-2,5-difluorophenyl)-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
• CAS: 885038-86-8
• 化学式: C₁₇H₁₆ClF₂N₃O₃
• 分子量: 383.782
• InChiKey: OCXSSVCLMJJHFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  71
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(4-chloro-2,5-difluorophenyl)-4-oxo-3,5,6,7,-tetrahydro-4H-pyrrolo[3,4-d]pyrimidine-6-carboxylate 在 盐酸 作用下， 以 甲醇 、 氯仿 、 乙酸乙酯 为溶剂， 反应 5.0h， 生成 2-(4-chloro-2,5-difluorophenyl)-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one hydrochloride
  参考文献：
  名称：

  EP1803710

  摘要：

  公开号：

文献信息

• Pyrimidine Derivative Condensed with a Non-Aromatic Ring
  申请人：Yonetoku Yasuhiro

  公开号：US20080070896A1

  公开（公告）日：2008-03-20

  There are provided new pyrimidine derivatives condensed with a non-aromatic ring selected from dihydrothiophene, dihydrofuran, cycloalkane moiety, and the like or pharmaceutically acceptable salts thereof; and a pharmaceutical composition comprising said compound as an active ingredient. These compounds exhibit excellent promoting activity on insulin secretion and activity against hyperglycemia. Hence, the pharmaceutical compositions comprising such compounds as active ingredients, based on these actions, are useful for treating and/or preventing insulin-dependent diabetes (type 1 diabetes), non-insulin-dependent diabetes (type 2 diabetes), insulin-resistant diseases, obesity, and the like.

  提供了一些新的嘧啶衍生物，其与二氢噻吩、二氢呋喃、环烷基等非芳香环结构缩合，或其药学上可接受的盐缩合；以及一种含有该化合物作为活性成分的制药组合物。这些化合物表现出对胰岛素分泌的促进活性和对高血糖的活性。因此，基于这些作用，包含这些化合物作为活性成分的制药组合物可用于治疗和/或预防胰岛素依赖性糖尿病（1型糖尿病）、非胰岛素依赖性糖尿病（2型糖尿病）、胰岛素抵抗性疾病、肥胖症等。
• Pyrimidine derivative condensed with a non-aromatic ring
  申请人：Astellas Pharma Inc.

  公开号：US07947690B2

  公开（公告）日：2011-05-24

  The present invention provides a condensed pyrimidine compound represented by formula (I) or pharmaceutically acceptable salt thereof: where A represents a ring where at least one carbon atom within said ring is optionally substituted with one or more groups selected from the group consisting of lower alkyl, —O-(lower alkyl), halogen atom, carboxyl, —CO2-(lower alkyl), and carbamoyl, R1 represents: (1) phenyl substituted with at least three halogen atoms, which may have at least one additional substituent, or (2) cyclopropyl, cyclobutyl, cyclopentyl, cyclohexyl, or cycloheptyl, each of which is optionally substituted; and R2 represents a group represented by formula (II) or an optionally substituted cyclic amino: wherein R21 and R22 may be identical or different and each represents —H, lower alkyl, lower alkenyl, lower alkynyl, cycloalkyl, phenyl, heteroaryl, non-aromatic heterocyclyl, or —O-(lower alkyl), each of which is optionally substituted.

  本发明提供一种由式(I)表示的缩合嘧啶化合物或其药学上可接受的盐： 其中A代表一个环，该环内至少有一个碳原子可选择地被选自下列群组的一个或多个基团取代：较低的烷基，—O-（较低的烷基），卤素原子，羧基，—CO2-（较低的烷基）和氨基甲酰基。R1表示：（1）苯基，该苯基被至少三个卤素原子取代，可能具有至少一个额外的取代基，或（2）环丙基，环丁基，环戊基，环己基或环庚基，每个基团可选择地被取代；R2表示由式（II）表示的基团或可选择地取代的环状氨基： 其中R21和R22可以相同也可以不同，每个都表示—H，较低的烷基，较低的烯基，较低的炔基，环烷基，苯基，杂环芳烃，非芳香族杂环基或—O-（较低的烷基），每个基团可选择地被取代。
• PYRIMIDINE DERIVATIVE CONDENSED WITH NON-AROMATIC RING
  申请人：Astellas Pharma Inc.

  公开号：EP1803710A1

  公开（公告）日：2007-07-04

  There are provided new pyrimidine derivatives condensed with a non-aromatic ring selected from dihydrothiophene, dihydrofuran, cycloalkane moiety, and the like or pharmaceutically acceptable salts thereof; and a pharmaceutical composition comprising said compound as an active ingredient. These compounds exhibit excellent promoting activity on insulin secretion and activity against hyperglycemia. Hence, the pharmaceutical compositions comprising such compounds as active ingredients, based on these actions, are useful for treating and/or preventing insulin-dependent diabetes (type 1 diabetes), non-insulin-dependent diabetes (type 2 diabetes), insulin-resistant diseases, obesity, and the like.

  提供了与选自二氢噻吩、二氢呋喃、环烷基等的非芳香环缩合的新嘧啶衍生物或其药学上可接受的盐；以及包含上述化合物作为活性成分的药物组合物。这些化合物对胰岛素分泌和高血糖具有良好的促进作用。因此，基于这些作用，包含此类化合物作为活性成分的药物组合物可用于治疗和/或预防胰岛素依赖型糖尿病（1 型糖尿病）、非胰岛素依赖型糖尿病（2 型糖尿病）、胰岛素抵抗性疾病、肥胖症等。
• US7947690B2
  申请人：——

  公开号：US7947690B2

  公开（公告）日：2011-05-24