(+)-2-hydroxyethyl 4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (+)-2-hydroxyethyl 4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
• 英文别名: 2-Hydroxyethyl 4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifiuoromethyi)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate；2-hydroxyethyl 6-(4-cyanophenyl)-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate
• 化学式: C₂₂H₁₈F₃N₃O₄
• 分子量: 445.398
• InChiKey: XERLAFZWYABQAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-{5-(1H-imidazol-1-ylcarbonyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-4-pyrimidinyl}benzonitrile 、 乙二醇 在 solvent A 、 乙腈 、 solvent B 、 水 作用下， 反应 1.5h， 生成 (+)-2-hydroxyethyl 4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
  参考文献：
  名称：

  Pyrimidinone derivatives as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes

  摘要：

  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。

  公开号：

  US07687510B2

文献信息

• [EN] PYRIDAZINONE DERIVATIVES AND USE THEREOF AS P2X7 RECEPTOR INHIBITORS<br/>[FR] DÉRIVÉS DE PYRIDAZINONE ET LEUR UTILISATION COMME INHIBITEURS DU RÉCEPTEUR P2X7
  申请人：NISSAN CHEMICAL IND LTD

  公开号：WO2009057827A1

  公开（公告）日：2009-05-07

  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.

  翻译结果为：新型的哒嗪酮化合物，其化学公式为(I)，能够抑制嘌呤能P2X7受体，并对预防、治疗和改善炎症性和免疫性疾病有益。
• [EN] PYRIMIDINONE DERIVATIVES AS THERAPEUTIC AGENTS AGAINST ACUTE AND CHRONIC INFLAMMATORY, ISCHAEMIC AND REMODELLING PROCESSES<br/>[FR] DERIVES DE PYRIMIDINONE UTILISES COMME AGENTS THERAPEUTIQUES CONTRE DES PROCESSUS INFLAMMATOIRES, ISCHEMIQUES ET DE REMODELAGE AIGUS ET CHRONIQUES
  申请人：BAYER HEALTHCARE AG

  公开号：WO2004024700A1

  公开（公告）日：2004-03-25

  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.

  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。
• ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE
  申请人：SAMSUNG DISPLAY CO., LTD.

  公开号：US20190181358A1

  公开（公告）日：2019-06-13

  An organic electroluminescence device includes a first electrode, an organic layer disposed on the first electrode, and a second electrode disposed on the organic layer. The organic layer includes an organometallic compound represented by Formula 1 below. where R 1 to R 4 , X 1 to X 4 , Ar 1 to Ar 3 , M, Q, m1 to m4, and n are as defined in the specification.

  一个有机电致发光器件包括第一电极，设置在第一电极上的有机层，以及设置在有机层上的第二电极。有机层包括下面公式1所表示的有机金属化合物，其中R1至R4，X1至X4，Ar1至Ar3，M，Q，m1至m4和n的定义如规范中所述。
• ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND INCLUDING NITROGEN FOR ORGANIC ELECTROLUMINESCENCE DEVICE
  申请人：Samsung Display Co., Ltd.

  公开号：US20190198773A1

  公开（公告）日：2019-06-27

  An organic electroluminescence device and a compound including nitrogen for an organic electroluminescence device are provided. The compound including nitrogen according to an embodiment of the present disclosure is represented by Formula 1. In Formula 1, “n” is 0 or 1, and M 1 and M 2 are each independently represented by Formula 2 or 3:

  提供了一种有机电致发光器件和一种含氮化合物，用于有机电致发光器件。根据本公开的实施例，所述含氮化合物由式1表示。在式1中，“n”为0或1，M1和M2分别独立地由式2或3表示。
• ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE
  申请人：Samsung Display Co., Ltd.

  公开号：US20190214585A1

  公开（公告）日：2019-07-11

  An organic electroluminescence device and a polycyclic compound used for the organic electroluminescence device are provided. The polycyclic compound according to an embodiment of the inventive concept is represented by Formula 1. In Formula 1, Y is B, P═O, or P═S, and X is SiR 3 R 4 , or GeR 5 R 6 . At least one of R 1 or R 2 is NAr 2 Ar 3 .

  提供了一种有机电致发光器件和用于该有机电致发光器件的多环化合物。根据本发明概念的一种实施例，所述多环化合物由式1表示。在式1中，Y为B，P═O或P═S，X为SiR3R4或GeR5R6。R1或R2中的至少一个为NAr2Ar3。