3-[(6-methyl-pyrimidin-4-yl)-acetyl]-benzonitrile | 861722-26-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-[(6-methyl-pyrimidin-4-yl)-acetyl]-benzonitrile
• 英文别名: 3-[2-(6-Methylpyrimidin-4-yl)acetyl]benzonitrile
• CAS: 861722-26-1
• 化学式: C₁₄H₁₁N₃O
• 分子量: 237.261
• InChiKey: AHCLYSFHRIWUAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  66.6
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• [EN] THIAZOLE DERIVATIVES AS A2B ANTAGONISTS<br/>[FR] DERIVES DE THIAZOLE EN TANT QU'ANTAGONISTES DE A2B
  申请人：NOVARTIS AG

  公开号：WO2005070926A1

  公开（公告）日：2005-08-04

  Compounds of formula (I) in free or salt form, where Ar is phenyl substituted by one or more substituents selected from halogen, cyano and C1- C8-haloalkyl, or naphthyl, R1 is hydrogen, phenyl optionally substituted by one or more substituents selected from halogen, cyano, hydroxy, C1-C8-alkyl, C1-C8-haloalkyl, C1-C8-alkoxy, C1-C8-alkoxy-Cl-C8­ alkyl, carboxy, C1-C8-alkoxycarbonyl and acyloxy, or R1 is a 5- or 6- membered monovalent heterocyclic group, R2 is hydrogen, Cl-C8-alkyl, acyl or -CON(R3)R4, R3 and R4 are each independently hydrogen or C1-Cs-alkyl, or together with the nitrogen atom to which they are attached denote a 5- or 6- membered heterocyclic group, and Y is a pyrimidinyl or pyridazinyl group, optionally substituted by at least one C1-Cs-alkyl, C1-C8-alkoxy, C1-C8-alkylthio, C1-C8-alkyl amino, di(Cl-C8-alkyl) amino or acylamino group. The compounds are useful as pharmaceuticals.

  化学式为(I)的化合物，以自由形式或盐形式存在，其中Ar为苯基，以卤素、氰基和C1-C8卤代烷基中的一个或多个取代基取代，或为萘基；R1为氢原子，苯基（可选）取代基为卤素、氰基、羟基、C1-C8烷基、C1-C8卤代烷基、C1-C8烷氧基、C1-C8烷氧基-Cl-C8烷基、羧基、C1-C8烷氧羰基和酰氧基，或R1为5-或6-成员单价杂环基；R2为氢原子、Cl-C8烷基、酰基或-CON（R3）R4，R3和R4各自独立地为氢原子或C1-C8烷基，或与它们连接的氮原子一起表示5-或6-成员杂环基；Y为嘧啶基或吡啶嗪基，可选地取代至少一个C1-C8烷基、C1-C8烷氧基、C1-C8烷硫基、C1-C8烷基氨基、二（Cl-C8烷基）氨基或酰胺基。这些化合物可用作药物。
• Thiazole derivatives as a2b antagonists
  申请人：Press Neil John

  公开号：US20090233938A1

  公开（公告）日：2009-09-17

  Compounds of formula (I) in free or salt form, where Ar is phenyl substituted by one or more substituents selected from halogen, cyano and C 1 -C 8 -haloalkyl, or naphthyl, R 1 is hydrogen, phenyl optionally substituted by one or more substituents selected from halogen, cyano, hydroxy, C 1 -C 8 -alkyl, C 1 -C 8 -haloalkyl, C 1 -C 8 -alkoxy, C 1 -C 8 -alkoxy-C 1 -C 8 alkyl, carboxy, C 1 -C 8 -alkoxycarbonyl and acyloxy, or R 1 is a 5- or 6-membered monovalent heterocyclic group, R 2 is hydrogen, C 1 -C 8 -alkyl, acyl or —CON(R 3 )R 4 , R 3 and R 4 are each independently hydrogen or C 1 -C 8 -alkyl, or together with the nitrogen atom to which they are attached denote a 5- or 6-membered heterocyclic group, and Y is a pyrimidinyl or pyridazinyl group, optionally substituted by at least one C 1 -C 8 -alkyl, C 1 -C 8 -alkoxy, C 1 -C 8 -alkylthio, C 1 -C 8 -alkyl amino, di(C 1 -C 8 -alkyl) amino or acylamino group. The compounds are useful as pharmaceuticals.

  式（I）的化合物，其为自由或盐形式，其中Ar为苯基，被一个或多个取代基所取代，所述取代基从卤素，氰基和C1-C8卤代烷基中选择，或为萘基；R1为氢，苯基，可选择地被一个或多个取代基所取代，所述取代基从卤素，氰基，羟基，C1-C8烷基，C1-C8卤代烷基，C1-C8烷氧基，C1-C8烷氧基-C1-C8烷基，羧基，C1-C8烷氧羰基和酰氧基中选择，或R1为5-或6-成员的单价杂环基；R2为氢，C1-C8烷基，酰基或-CON（R3）R4，其中R3和R4各自独立地为氢或C1-C8烷基，或与它们所连接的氮原子一起表示5-或6-成员杂环基；Y为嘧啶基或吡嗪基，可选择地被至少一个C1-C8烷基，C1-C8烷氧基，C1-C8烷硫基，C1-C8烷基氨基，二（C1-C8烷基）氨基或酰胺基所取代。这些化合物可用作药物。
• THIAZOLE DERIVATIVES AS A2B ANTAGONISTS
  申请人：Novartis AG

  公开号：EP1709036B1

  公开（公告）日：2008-03-05