2-乙基-6-氧代-1,6-二氢嘧啶-5-羧酸乙酯 | 64179-80-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-乙基-6-氧代-1,6-二氢嘧啶-5-羧酸乙酯
• 英文名称: 2-ethyl-4-hydroxy-5-ethoxycarbonylpyrimidine
• 英文别名: 2-ethyl-6-oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester；Ethyl 2-ethyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate；ethyl 2-ethyl-6-oxo-1H-pyrimidine-5-carboxylate
• CAS: 64179-80-2
• 化学式: C₉H₁₂N₂O₃
• mdl: MFCD16162413
• 分子量: 196.206
• InChiKey: LGRBWCOYHPFTAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.444
• 拓扑面积：
  67.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-乙基-6-氧代-1,6-二氢嘧啶-5-羧酸乙酯 在 三氯氧磷 作用下， 生成 ethyl 2-ethyl-4-chloropyrimidine-5-carboxylate
  参考文献：
  名称：

  Novel inhibitors of AP-1 and NF-κB mediated gene expression: structure–activity relationship studies of ethyl 4-[(3-Methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate

  摘要：

  In an effort to identify novel inhibitors of AP-1 and NF-kappa B mediated transcriptional activation, several analogues of ethyl 4-[(3-methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate (1) were synthesized and tested in two in vitro assays. The 2-(2'-thienyl) substituted compound (II) was identified as the most potent in this series. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00312-7
• 作为产物：
  描述：

  丙脒盐酸盐 、 乙氧基甲叉丙二酸二乙酯 在 sodium ethanolate 、 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 2.83h， 以86%的产率得到2-乙基-6-氧代-1,6-二氢嘧啶-5-羧酸乙酯
  参考文献：
  名称：

  [EN] PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS
  [FR] DERIVES DE PYRIMIDNE UTILISES EN TANT QUE MODULATEURS DE TRANSPORTEURS DE CASSETTE DE LIAISON A L'ATP

  摘要：

  本发明涉及Formula (I)的化合物，作为ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜调节器（“CFTR”），以及相关的组合物和方法。本发明还涉及使用这些调节剂治疗ABC转运蛋白介导的疾病的方法。

  公开号：

  WO2004111014A1

文献信息

• [EN] PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV<br/>[FR] COMPOSES PYRIDINES UTILISES COMME INHIBITEURS DE DIPEPTIDYLE PEPTIDASE IV
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2005042488A1

  公开（公告）日：2005-05-12

  A compound represented by the formula wherein R1 and R2 are the same or different and each is an optionally substituted hydrocarbon group or an optionally substituted hydroxy group; R3 is an optionally substituted aromatic group; R4 is an optionally substituted amino group; L is a divalent chain hydrocarbon group; Q is a bond or a divalent chain hydrocarbon group; and X is a hydrogen atom, a cyano group, a nitro group, an acyl group, a substituted hydroxy group, an optionally substituted thiol group, an optionally substituted amino group or an optionally substituted cyclic group; provided that when X is an ethoxycarbonyl group, then Q is a divalent chain hydrocarbon group. The compound has a peptidase inhibitory action, is useful as an agent for the prophylaxis or treatment of diabetes and the like, and is superior in efficacy, duration of action, specificity, lower toxicity and the like.

  该化合物的化学式表示为其中R1和R2相同或不同，每个都是可选择取代的碳氢基团或可选择取代的羟基团；R3是可选择取代的芳香基团；R4是可选择取代的氨基团；L是二价链状碳氢基团；Q是键或二价链状碳氢基团；X是氢原子、氰基、硝基、酰基、取代的羟基团、可选择取代的硫醇基团、可选择取代的氨基团或可选择取代的环状基团；但当X是乙氧羰基团时，Q为二价链状碳氢基团。该化合物具有肽酶抑制作用，可用作糖尿病等疾病的预防或治疗药物，并在功效、作用持续时间、特异性、毒性较低等方面具有优越性。
• Cis-imidazolines
  申请人：Fotouhi Nader

  公开号：US20070167437A1

  公开（公告）日：2007-07-19

  There are provided compounds of the formula I wherein R, V 1 , V 2 and Ring A are described herein. The compounds exhibit anticancer activity.

  提供的化合物具有以下结构式I，其中R、V1、V2和环A如本文所述。这些化合物表现出抗癌活性。
• Amides derived from carboxyl-5 pyrimidines
  申请人：Delalande S.A.

  公开号：US04250178A1

  公开（公告）日：1981-02-10

  Compounds for the formula ##STR1## for example, ##STR2## are prepared by reacting ##STR3## with ##STR4## The compounds possess neuroleptic properties.

  公式##STR1## 的化合物，例如##STR2##，可通过将##STR3##与##STR4##反应制备而成。这些化合物具有神经阻滞剂的特性。
• Modulators of ATP-Binding Cassette transporters
  申请人：Makings R. Lewis

  公开号：US20050059687A1

  公开（公告）日：2005-03-17

  The present invention relates to modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator (“CFTR”), compositions thereof, and methods therewith. The present invention also relates to methods of treating ABC transporter mediated diseases using such modulators.

  本发明涉及ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜传导调节因子（“CFTR”），以及这些调节剂的组合物和使用它们的方法。本发明还涉及使用这些调节剂治疗ABC转运蛋白介导的疾病的方法。
• Pyridine compounds as inhibitors of dipeptidyl peptidase IV
  申请人：Oi Satoru

  公开号：US20070037807A1

  公开（公告）日：2007-02-15

  A compound represented by the formula wherein R 1 and R 2 are the same or different and each is an optionally substituted hydrocarbon group or an optionally substituted hydroxy group; R 3 is an optionally substituted aromatic group; R 4 is an optionally substituted amino group; L is a divalent chain hydrocarbon group; Q is a bond or a divalent chain hydrocarbon group; and X is a hydrogen atom, a cyano group, a nitro group, an acyl group, a substituted hydroxy group, an optionally substituted thiol group, an optionally substituted amino group or an optionally substituted cyclic group; provided that when X is an ethoxycarbonyl group, then Q is a divalent chain hydrocarbon group. The compound has a peptidase inhibitory action, is useful as an agent for the prophylaxis or treatment of diabetes and the like, and is superior in efficacy, duration of action, specificity, lower toxicity and the like.

  该化合物的化学式为其中R1和R2是相同或不同的可选择取代的烃基或可选择取代的羟基；R3是可选择取代的芳香基；R4是可选择取代的氨基；L是二价链烃基；Q是键或二价链烃基；X是氢原子、氰基、硝基、酰基、可选择取代的羟基、可选择取代的硫醇基、可选择取代的氨基或可选择取代的环状基；但当X是乙氧羰基时，Q是二价链烃基。该化合物具有肽酶抑制作用，可用作预防或治疗糖尿病等药物，具有优异的疗效、持续时间、特异性、低毒性等特点。