5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)-2-pyridinecarbonitrile | 237409-11-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)-2-pyridinecarbonitrile
• 英文别名: 5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)pyridine-2-carbonitrile
• CAS: 237409-11-9
• 化学式: C₁₂H₁₄N₂O₂
• 分子量: 218.255
• InChiKey: XFQANQZHRNNTAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  55.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)-2-pyridinecarboxamide 在 吡啶 、 三氟乙酸酐 作用下， 以 1,4-二氧六环 为溶剂， 以9.7 mg (64%)的产率得到5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)-2-pyridinecarbonitrile
  参考文献：
  名称：

  5-Substituted picolinic acid compounds and their production process

  摘要：

  本发明提供了式（I）的新型5-取代吡啶甲酸化合物或其药学上可接受的盐： 其中R^1和R^2分别为H，C.sub.2-C.sub.6酰基或卤代苯甲酰基；R^3为--C(O)O--C.sub.1-C.sub.6烷基，C(O)OH，CN，CONH.sub.2，CONHCH.sub.3，CON(CH.sub.3).sub.2，1-甲基四唑或2-甲基四唑，但当R^2为乙酰基且R^3为甲氧羰基时，R^1不是H；当R^3为CN，CONH.sub.2，CONHCH.sub.3，CON(CH.sub.3).sub.2，1-甲基四唑或2-甲基四唑时，R^1和R^2为H。本发明还涉及包含本发明化合物的药物组合物，用于治疗IL-1和TNF介导的疾病或类似疾病。本发明还涉及一种生产式（I）化合物的方法。

  公开号：

  US06034107A1

文献信息

• 5-substituted picolinic acid compounds production by Marasmiellus sp
  申请人：Pfizer Inc.

  公开号：US06416979B1

  公开（公告）日：2002-07-09

  The present invention provides novel 5-substituted picolinic acid compounds of formula (I) or a pharmaceutically acceptable salt thereof: wherein R1 and R2 are independently H, C2-C6 acyl or halo-substituted benzoyl; and R3 is —C(O)O—C1-C6 alkyl, C(O)OH, CN, CONH2, CONHCH3, CON(CH3)2, 1-methyltetrazole or 2-methyltetrazole, with the proviso that when R2 is acetyl and R3 is methoxycarbonyl, R1 is not H; and that when R3 is CN, CONH2, CONHCH3, CON(CH3)2, 1-methyltetrazole or 2-methyltetrazole, R1 and R2 are H. The present invention also relates to a pharmaceutical composition comprising compound of the present invention, which is useful in the treatment of IL-1 and TNF mediated diseases or the like. The present invention further relates to a process for producing the compounds of the formula (I).

  本发明提供了式（I）的新型5-取代吡啶甲酸化合物或其药学上可接受的盐：其中R1和R2分别是H、C2-C6酰基或卤代苯甲酰基；R3是—C（O）O—C1-C6烷基、C（O）OH、CN、CONH2、CONH 、CON（CH3）2、1-甲基四唑或2-甲基四唑，但当R2为乙酰基且R3为甲氧基羰基时，R1不为H；当R3为CN、CONH2、CONH 、CON（ ）2、1-甲基四唑或2-甲基四唑时，R1和R2为H。本发明还涉及一种包括本发明化合物的药物组合物，其在治疗IL-1和TNF介导的疾病等方面有用。本发明还涉及一种制备式（I）化合物的方法。
• 5-substituted picolinic acid compounds and their method of use
  申请人：Pfizer Inc

  公开号：US06194442B1

  公开（公告）日：2001-02-27

  The present invention provides novel 5-substituted picolinic acid compounds of formula (I) or a pharmaceutically acceptable salt thereof: wherein R1 and R2 are independently H, C2-C6 acyl or halo-substituted benzoyl; and R3 is —C(O)O—C1-C6 alkyl, C(O)OH, CN, CONH2, CONHCH3, CON(CH3)2, 1-methyltetrazole or 2-methyltetrazole, with the proviso that when R2 is acetyl and R3 is methoxycarbonyl, R1 is not H; and that when R3 is CN, CONH2, CONHCH3, CON(CH3)2, 1-methyltetrazole or 2-methyltetrazole, R1 and R2 are H. The present invention also relates to a pharmaceutical composition comprising compound of the present invention, which is useful in the treatment of IL-1 and TNF mediated diseases or the like. The present invention further relates to a process for producing the compounds of the formula (I).

  本发明提供了式（I）的新型5-取代吡啶甲酸化合物或其药学上可接受的盐：其中R1和R2独立地为H，C2-C6酰基或卤代苯甲酰基；R3为—C（O）O—C1-C6烷基，C（O）OH，CN，CONH2，CONH ，CON（CH3）2，1-甲基四唑或2-甲基四唑，但当R2为乙酰基且R3为甲氧羰基时，R1不为H；当R3为CN，CONH2，CONH ，CON（ ）2，1-甲基四唑或2-甲基四唑时，R1和R2为H。本发明还涉及一种包括本发明化合物的药物组合物，用于治疗IL-1和TNF介导的疾病或类似疾病。本发明还涉及一种制备式（I）化合物的方法。
• Picolin acid derivatives useful in the treatment of IL-1 and TNF mediated diseases
  申请人：PFIZER INC.

  公开号：EP0926137B1

  公开（公告）日：2004-05-12
• US6034107A
  申请人：——

  公开号：US6034107A

  公开（公告）日：2000-03-07
• US6194442B1
  申请人：——

  公开号：US6194442B1

  公开（公告）日：2001-02-27