N-(5-amino-2-methylphenyl)-6-(4-tert-butoxycarbonylpiperazin-1-yl)-3,4-dihydroquinazolin-4-one | 295311-54-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: N-(5-amino-2-methylphenyl)-6-(4-tert-butoxycarbonylpiperazin-1-yl)-3,4-dihydroquinazolin-4-one
• 英文别名: Tert-butyl 4-[3-(5-amino-2-methylphenyl)-4-oxoquinazolin-6-yl]piperazine-1-carboxylate
• CAS: 295311-54-5
• 化学式: C₂₄H₂₉N₅O₃
• 分子量: 435.526
• InChiKey: QMPJDYNGVFHTAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  91.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-(5-amino-2-methylphenyl)-2-amino-5-(4-tertbutoxycarbonylpiperazin-1-yl)benzamide 在 溶剂黄146 、 原甲酸三乙酯 、 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 32.0h， 生成 N-(5-amino-2-methylphenyl)-6-(4-tert-butoxycarbonylpiperazin-1-yl)-3,4-dihydroquinazolin-4-one
  参考文献：
  名称：

  AMIDE DERIVATIVES

  摘要：

  公开号：

  EP1163237B1

文献信息

• Amide derivatives
  申请人：Brown S. Dearg

  公开号：US20050245551A1

  公开（公告）日：2005-11-03

  The invention concerns amide derivatives of Formula (Ia) wherein X is —NHCO— or —CONH—; m is 0-3; R 1 is a group such as hydroxy, halogeno, trifluoromethyl, cyano, mercapto, nitro, amino, carboxy and carbamoyl; n is 0-2; R 2 is a group such as hydroxy, halogeno, trifluoromethyl, cyano, mercapto, nitro, amino and carboxy; R 3 is hydrogen, halogeno, (1-6C)alkyl or (1-6C)alkoxy; q is 0-4; and Q is a group such as aryl, aryloxy, aryl-(1-6C)alkoxy, arylamino and N -(1-6C)alkyl-arylamino; or pharmaceutically-acceptable salts or in-vivo-cleavable esters thereof; processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of diseases or medical conditions mediated by cytokines.

  本发明涉及式(Ia)的酰胺衍生物，其中X为—NHCO—或—CONH—；m为0-3；R1为羟基、卤代、三氟甲基、氰基、巯基、硝基、氨基、羧基和氨基甲酰基等基团；n为0-2；R2为羟基、卤代、三氟甲基、氰基、巯基、硝基、氨基和羧基等基团；R3为氢、卤代、(1-6C)烷基或(1-6C)烷氧基；q为0-4；Q为芳基、芳氧基、芳基-(1-6C)烷氧基、芳基氨基和N-(1-6C)烷基-芳基氨基等基团；或其药学上可接受的盐或体内可降解的酯；制备它们的方法、含有它们的制药组合物以及它们在治疗细胞因子介导的疾病或医疗状况中的用途。
• US7008945B1
  申请人：——

  公开号：US7008945B1

  公开（公告）日：2006-03-07
• US7332483B2
  申请人：——

  公开号：US7332483B2

  公开（公告）日：2008-02-19
• US7442704B2
  申请人：——

  公开号：US7442704B2

  公开（公告）日：2008-10-28
• [EN] AMIDE DERIVATIVES<br/>[FR] DERIVES AMIDES
  申请人：ASTRAZENECA AB

  公开号：WO2000055153A1

  公开（公告）日：2000-09-21

  The invention concerns amide derivatives of Formula (Ia) wherein X is - NHCO- or -CONH-; m is 0-3; R1 is a group such as hydroxy, halogeno, trifluoromethyl, cyano, mercapto, nitro, amino, carboxy and carbamoyl; n is 0-2; R2 is a group such as hydroxy, halogeno, trifluoromethyl, cyano, mercapto, nitro, amino and carboxy; R3 is hydrogen, halogeno, (1-6C)alkyl or (1-6C)alkoxy; q is 0-4; and Q is a group such as aryl, aryloxy, aryl-(1-6C)alkoxy, arylamino and N-(1-6C)alkyl-arylamino; or pharmaceutically-acceptable salts or in-vivo-cleavable esters thereof; processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of diseases or medical conditions mediated by cytokines.