Ethyl 6-(4-cyanophenyl)-3-(3,5-difluorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate | 956487-08-4

• 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 6-(4-cyanophenyl)-3-(3,5-difluorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
• CAS: 956487-08-4
• 化学式: C₂₁H₁₇F₂N₃O₃
• 分子量: 397.381
• InChiKey: UUJKEIMZGWZCEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  82.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-(3,5-difluorophenyl)urea 、 乙酰乙酸乙酯 、 4-氰基苯甲醛 在 PPA 作用下， 以 四氢呋喃 为溶剂， 反应 17.0h， 以53%的产率得到Ethyl 6-(4-cyanophenyl)-3-(3,5-difluorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
  参考文献：
  名称：

  [EN] TETRAHYDROPYRROLOPYRIMIDINEDIONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS
  [FR] TÉTRAHYDROPYRROLOPYRIMIDINEDIONES ET LEUR UTILISATION COMME INHIBITEURS DE L'ÉLASTASE DES NEUTROPHILES HUMAINS

  摘要：

  式（I）的化合物及其多聚体是人类中性粒细胞弹性蛋白酶活性的抑制剂，并且在治疗COPD等方面具有实用价值：其中所有取代基均如权利要求1所定义。

  公开号：

  WO2009013444A1

文献信息

• WO2007/129060
  申请人：——

  公开号：——

  公开（公告）日：——
• 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.
• Tetrahydropyrrolopyrimidinediones And Their Use In Therapy
  申请人：RAY Nicholas Charles

  公开号：US20120202826A1

  公开（公告）日：2012-08-09

  The subject invention provides compounds of formula (I): Including monomers and multimers thereof that are inhibitors of human neutrophil elastase (HNE) activity and are useful in the treatment of diseases or conditions in which HNE plays a part.
• US8198288B2
  申请人：——

  公开号：US8198288B2

  公开（公告）日：2012-06-12
• US8957082B2
  申请人：——

  公开号：US8957082B2

  公开（公告）日：2015-02-17