(5-Amino-3-anilino-1,2,4-triazol-1-yl)-(3-nitrophenyl)methanone

• 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: (5-Amino-3-anilino-1,2,4-triazol-1-yl)-(3-nitrophenyl)methanone
• 化学式: C15H12N6O3
• 分子量: 324.29
• InChiKey: XWNUPRJVIXQEPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  132
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• DIAMINO-1,2,4-TRIAZOLE-CARBOXYLIC ACID DERIVATIVES AS GSK-3 INHIBITORS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1200415A1

  公开（公告）日：2002-05-02
• [EN] DIAMINO-1,2,4-TRIAZOLE-CARBOXYLIC AND DERIVATIVES AS GSK-3 INHIBITORS<br/>[FR] COMPOSES DIAMINO-1,2,4-TRIAZOLE-ACIDE CARBOXYLIQUE ET DERIVES DE CES DERNIERS UTILES EN TANT QU'INHIBITEURS DE GSK-3
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2001009106A1

  公开（公告）日：2001-02-08

  Pharmaceutical compositions comprising compounds of formula (I), or a pharmaceutically acceptable derivative thereof, and a pharmaceutically acceptable carrier wherein; the R3CZ-moiety may be attached to the nitrogen atom at position 1 or the nitrogen atom at position 2; R1 is hydrogen, alkyl, aryl, aralkyl, aralkenyl or alicyclic; R2 is hydrogen, alkyl, aryl, aralkyl, aralkenyl or alicyclic, or R?1 and R2¿ together with the nitrogen atom to which they are attached may form a heterocyclic ring which ring may be unsubstituted or substituted; R3 is alkyl, aryl, aralkyl, aryl(Q)alkyl, where Q is O or S, aralkenyl, alicyclic, heteroaryl, heteroaralkyl, arylcarbonylalkyl, alicyclylalkyl, diarylalkyl, or NR6R7; R4 is hydrogen, alkyl, aryl, aralkyl, aralkenyl or alicyclic; R5 is hydrogen, alkyl, aryl, aralkyl, aralkenyl or alicyclic, or R?4 and R5¿ together with the nitrogen atom to which they are attached may form a heterocyclic ring which ring may be unsubstituted or substituted; R6 is hydrogen, aryl or alicyclic; R7 is hydrogen, aryl or alicyclic, and: Z is oxygen or sulphur; are indicated to be useful in the treatment of conditions associated with a need for inhibition of GSK-3.