ethyl 4-(4-cyanophenyl)-6-methyl-1-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | 671776-01-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: ethyl 4-(4-cyanophenyl)-6-methyl-1-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
• 英文别名: ethyl 6-(4-cyanophenyl)-4-methyl-3-(3-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
• CAS: 671776-01-5
• 化学式: C₂₂H₂₁N₃O₃
• 分子量: 375.427
• InChiKey: GQFYETDQTZYKSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  82.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  间甲苯脲 、 乙酰乙酸乙酯 、 4-氰基苯甲醛 在 盐酸 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以3%的产率得到ethyl 4-(4-cyanophenyl)-6-methyl-1-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
  参考文献：
  名称：

  [EN] PYRIMIDINONE DERIVATIVES AS THERAPEUTIC AGENTS AGAINST ACUTE AND CHRONIC INFLAMMATORY, ISCHAEMIC AND REMODELLING PROCESSES
  [FR] DERIVES DE PYRIMIDINONE UTILISES COMME AGENTS THERAPEUTIQUES CONTRE DES PROCESSUS INFLAMMATOIRES, ISCHEMIQUES ET DE REMODELAGE AIGUS ET CHRONIQUES

  摘要：

  这项发明涉及新颖的杂环衍生物，其制备方法以及它们在药物中的应用，特别是用于慢性阻塞性肺疾病的治疗。

  公开号：

  WO2004024700A1

文献信息

• Pyrimidinone derivaties as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes
  申请人：Gielen-Haertwig Heike

  公开号：US20060160801A1

  公开（公告）日：2006-07-20

  The invention relates to novel heterocyclic derivatives, processes for their preparation, and their use in medicaments, especially for the treatment of chronic obstructive pulmonary diseases.

  该发明涉及新型杂环衍生物，其制备方法以及在药物中的应用，特别是用于慢性阻塞性肺疾病的治疗。
• PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS
  申请人：Shigeta Yukihiro

  公开号：US20100286390A1

  公开（公告）日：2010-11-11

  Novel pyridazinone compounds of formula (I), which inhibit the purinergic P2X7 receptor and are useful for prevention, therapy and improvement of inflammatory and immunological diseases.

  化合物(I)是一种新型的吡啶并嗪酮化合物，可以抑制嘌呤能P2X7受体，因此可用于预防、治疗和改善炎症和免疫性疾病。
• Pyrimidinone derivatives as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes
  申请人：Bayer Healthcare AG

  公开号：US07687510B2

  公开（公告）日：2010-03-30

  The invention relates to novel heterocyclic derivatives, processes for their preparation, and their use in medicaments, especially for the treatment of chronic obstructive pulmonary diseases.

  本发明涉及新型杂环衍生物、其制备方法以及它们在药物中的应用，特别是用于慢性阻塞性肺疾病的治疗。
• PYRIMIDINONE DERIVATIVES AS THERAPEUTIC AGENTS AGAINST ACUTE AND CHRONIC INFLAMMATORY, ISCHAEMIC AND REMODELLING PROCESSES
  申请人：Bayer HealthCare AG

  公开号：EP1546113A1

  公开（公告）日：2005-06-29
• TETRAHYDROPYRROLOPYRIMIDINEDIONES AND THEIR USE IN THERAPY
  申请人：RAY Nicholas Charles

  公开号：US20090093477A1

  公开（公告）日：2009-04-09

  Compounds of formula (I) and multimers thereof are inhibitors of human neutrophil elastase activity, and of utility in the treatment of, e.g., COPD: wherein A is aryl or heteroaryl; D is oxygen or sulphur; R 1 , R 2 and R 3 are independently each hydrogen, halogen, nitro, cyano, C 1 -C 6 -alkyl, C 2 -C 6 -alkenyl, C 2 -C 6 -alkynyl, hydroxy or C 1 -C 6 -alkoxy or C 2 -C 6 -alkenyloxy, wherein C 1 -C 6 -alkyl and C 1 -C 6 -alkoxy can be further substituted with one to three identical or different radicals selected from the group consisting of halogen, hydroxy and C 1 -C 4 -alkoxy; R and R 4 each independently represent a radical of formula —[X] m -[Alk 1 ] p -[Q] n -[Alk 2 ] q -[X 1 ] k -Z wherein k, m, n, p and q are independently 0 or 1; Alk 1 and Alk 2 each independently represent an optionally substituted C 1 -C 6 alkylene, or C 2 -C 6 alkenylene radical which may optionally contain an ether (O—), thioether (—S—) or amino (—NR A —) link wherein R A is hydrogen or C 1 -C 3 alkyl; Q represents (i) O—, —S—, —S(═O)—, —S(═O) 2 —, —S + (R A )—, —N(R A )—, —N + (R A )(R B )—, —C(═O)—, —C(═O)O—, —OC(═O)—, —C(═O)NR A —, —NR A C(═O)—, —S(O 2 )NR A —, —NR A S(O 2 )—, —NR A C(═O)NR B —, —NR A C(═NR A )NR B —, —C(═NR D )NR E , —NR E C(═NR D ), wherein R A , R B , R D and R E are independently hydrogen, C 1 -C 6 alkyl, or C 3 -C 6 cycloalkyl, or R A and R B , or R D and R E taken together with the nitrogen to which they are attached form a monocyclic heterocyclic ring of 5 to 7 ring atoms which my contain a further heteroatom selected from N, O and S, or (ii) an optionally substituted divalent mono- or bicyclic carbocyclic or heterocyclic radical having 3-6 ring members; X represents —(C═O)—, —S(O 2 )—, —C(═O)O—, —(C═O)NR A —, or —S(O 2 )NR A —, wherein R A is hydrogen, C 1 -C 6 alkyl, or C 3 -C 6 cycloalkyl; X 1 represents —O—, —S—, or —NH; and Z is hydrogen or an optionally substituted mono- or bicyclic carbocyclic or heterocyclic radical having 3-6 ring members.