2-(butyramido)-5-methylbenzoic acid | 950236-50-7

• 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: 2-(butyramido)-5-methylbenzoic acid
• 英文别名: 2-(butanoylamino)-5-methylbenzoic acid
• CAS: 950236-50-7
• 化学式: C₁₂H₁₅NO₃
• 分子量: 221.256
• InChiKey: JAXLSEBMSBXMPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(butyramido)-5-methylbenzoic acid 在 ammonium hydroxide 、 sodium hydroxide 作用下， 生成 6-methyl-2-propylquinazolin-4(3H)-one
  参考文献：
  名称：

  Phosphodiesterase inhibitory properties of losartan. design and synthesis of new lead compounds

  摘要：

  A 4-centre PDE 4 pharmacophore search has been carried out in several 3D-databases containing compounds belonging to different therapeutic areas. Losartan, an angiotensin-II antagonist, has been identified as a new lead compound for developping PDE 4 inhibitors. New families of compounds derived from losartan has been synthesized and their PDE inhibition has been measured. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00058-4
• 作为产物：
  描述：

  2-氨基-5-甲基苯甲酸 、 丁酰氯 在 吡啶 作用下， 以 四氢呋喃 为溶剂， 以80.3%的产率得到2-(butyramido)-5-methylbenzoic acid
  参考文献：
  名称：

  2-取代喹唑啉-4(3H)-酮哌嗪-1-碳二硫代衍生物的合成及细胞毒性筛选

  摘要：

  从 2-氨基-5-甲基苯甲酸开始，通过五步法合成了一系列新的 2-取代喹唑啉-4(3H)-酮的哌嗪-1-碳二硫代衍生物。通过 MTT 法测定所得化合物对 A-549（人肺癌）、HCT-8（人结肠癌）、HepG2（人肝癌）和 K562（人骨髓性白血病）细胞系的细胞毒性。报告了这些化合物的初步筛选结果。

  DOI：

  10.1002/ardp.200800148

文献信息

• Phosphodiesterase inhibitory properties of losartan. design and synthesis of new lead compounds
  作者：Victor Segarra、M. Isabel Crespo、Ferran Pujol、Jorge Beleta、Teresa Doménech、Montserrat Miralpeix、Jose M. Palacios、Ana Castro、Ana Martinez

  DOI：10.1016/s0960-894x(98)00058-4

  日期：1998.3

  A 4-centre PDE 4 pharmacophore search has been carried out in several 3D-databases containing compounds belonging to different therapeutic areas. Losartan, an angiotensin-II antagonist, has been identified as a new lead compound for developping PDE 4 inhibitors. New families of compounds derived from losartan has been synthesized and their PDE inhibition has been measured. (C) 1998 Elsevier Science Ltd. All rights reserved.
• Synthesis and Cytotoxicity Screening of Piperazine-1-carbodithioate Derivatives of 2-Substituted Quinazolin-4(3<i>H</i>)-ones
  作者：Sheng-Li Cao、Yan-Wen Guo、Xian-Bo Wang、Mei Zhang、Yu-Ping Feng、Yu-Yang Jiang、Yue Wang、Qian Gao、Jian Ren

  DOI：10.1002/ardp.200800148

  日期：2009.3

  piperazine‐1‐carbodithioate derivatives of 2‐substituted quinazolin‐4(3H)‐ones were synthesized via a five‐steps procedure starting from 2‐amino‐5‐methylbenzoic acid. The cytotoxicity of the resulting compounds against A‐549 (human lung cancer), HCT‐8 (human colon cancer), HepG2 (human liver cancer), and K562 (human myelogenous leukaemia) cell lines was determined by the MTT assay. Preliminary screening results of

  从 2-氨基-5-甲基苯甲酸开始，通过五步法合成了一系列新的 2-取代喹唑啉-4(3H)-酮的哌嗪-1-碳二硫代衍生物。通过 MTT 法测定所得化合物对 A-549（人肺癌）、HCT-8（人结肠癌）、HepG2（人肝癌）和 K562（人骨髓性白血病）细胞系的细胞毒性。报告了这些化合物的初步筛选结果。