5-Chloro-2-phenyl-isonicotinonitrile | 439290-92-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-Chloro-2-phenyl-isonicotinonitrile
• 英文别名: 5-chloro-2-phenylpyridine-4-carbonitrile
• CAS: 439290-92-3
• 化学式: C₁₂H₇ClN₂
• 分子量: 214.654
• InChiKey: PHAZCMDWWXRFBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  36.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-Chloro-2-phenyl-isonicotinonitrile 在 吡啶 、 二氮烯 作用下， 以 乙醇 为溶剂， 反应 14.0h， 生成 N-(5-Phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)-butyramide
  参考文献：
  名称：

  5-Aryl-pyrazolo[3,4-b]pyridines: potent inhibitors of glycogen synthase kinase-3 (GSK-3)

  摘要：

  A novel series of pyrazolo[3,4-b]pyridines has been identified that are potent inhibitors of glycogen synthase kinase-3 (GSK-3). (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00134-3
• 作为产物：
  描述：

  2,5-二氯异烟腈 、 苯硼酸 在 sodium carbonate 作用下， 以 乙二醇二甲醚 、 乙醇 为溶剂， 以60%的产率得到5-Chloro-2-phenyl-isonicotinonitrile
  参考文献：
  名称：

  5-Aryl-pyrazolo[3,4-b]pyridines: potent inhibitors of glycogen synthase kinase-3 (GSK-3)

  摘要：

  A novel series of pyrazolo[3,4-b]pyridines has been identified that are potent inhibitors of glycogen synthase kinase-3 (GSK-3). (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00134-3

文献信息

• Pyrazolo[3,4-c]pyridines as gsk-3 inhibitors
  申请人：——

  公开号：US20040077681A1

  公开（公告）日：2004-04-22

  A compound of formula (I) or a derivative thereof, wherein R 1 is unsubstituted or substituted alkyl, unsubstituted or substituted cycloalkyl, unsubstituted or substituted alkenyl, unsubstituted or substituted cycloalkenyl, unsubstituted or substituted aryl, aralkyl wherein the aryl and the alkyl moieties may each independently be unsubstituted or substituted, aralkenyl wherein the aryl and alkenyl moieties may each independently be unsubstituted or substituted, unsubstituted or substituted heterocyclyl, or heterocyclyalkyl wherein the heterocyclyl and the alkyl moieties may each independently be unsubstituted or substituted; and R 2 is unsubstituted or substituted aryl or unsubstituted or substituted heteroaryl, a process for preparing such compounds, a pharmaceutical composition comprising such compounds and the use of such compounds and composition in medicine. 1

  公式（I）的化合物或其衍生物，其中R1是未取代或取代的烷基，未取代或取代的环烷基，未取代或取代的烯基，未取代或取代的环烯基，未取代或取代的芳基，芳基烷基，其中芳基和烷基部分可以各自独立地未取代或取代，芳基烯基，其中芳基和烯基部分可以各自独立地未取代或取代，未取代或取代的杂环基，或杂环烷基，其中杂环基和烷基部分可以各自独立地未取代或取代; R2是未取代或取代的芳基或未取代或取代的杂环芳基，制备这种化合物的方法，包括这种化合物的制药组合物以及这种化合物和组合物在医学上的用途。
• PYRAZOLO 3,4-C]PYRIDINES AS GSK-3 INHIBITORS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1347972A1

  公开（公告）日：2003-10-01
• US7105532B2
  申请人：——

  公开号：US7105532B2

  公开（公告）日：2006-09-12
• [EN] PYRAZOLO[3,4-C]PYRIDINES AS GSK-3 INHIBITORS<br/>[FR] PYRAZOLO[3,4-C]PYRIDINE EN TANT QU'INHIBITEURS DE GSK-3
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2002050073A1

  公开（公告）日：2002-06-27

  A compound of formula (I) or a derivative thereof, wherein R1 is unsubstituted or substituted alkyl, unsubstituted or substituted cycloalkyl, unsubstituted or substituted alkenyl, unsubstituted or substituted cycloalkenyl, unsubstituted or substituted aryl, aralkyl wherein the aryl and the alkyl moieties may each independently be unsubstituted or substituted, aralkenyl wherein the aryl and alkenyl moieties may each independently be unsubstituted or substituted, unsubstituted or substituted heterocyclyl, or heterocyclyalkyl wherein the heterocyclyl and the alkyl moieties may each independently be unsubstituted or substituted; and R2 is unsubstituted or substituted aryl or unsubstituted or substituted heteroaryl, a process for preparing such compounds, a pharmaceutical composition comprising such compounds and the use of such compounds and composition in medicine.
• 5-Aryl-pyrazolo[3,4-b]pyridines: potent inhibitors of glycogen synthase kinase-3 (GSK-3)
  作者：Jason Witherington、Vincent Bordas、Stephen L Garland、Deirdre M.B Hickey、Robert J Ife、John Liddle、Martin Saunders、David G Smith、Robert W Ward

  DOI：10.1016/s0960-894x(03)00134-3

  日期：2003.5

  A novel series of pyrazolo[3,4-b]pyridines has been identified that are potent inhibitors of glycogen synthase kinase-3 (GSK-3). (C) 2003 Elsevier Science Ltd. All rights reserved.