2-(4-methylthiazol-2-yl)quinazolin-4(3H)-one | 733806-51-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-(4-methylthiazol-2-yl)quinazolin-4(3H)-one
• CAS: 733806-51-4
• 化学式: C₁₂H₉N₃OS
• 分子量: 243.289
• InChiKey: HSWOYRJQRZSQFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.36
• 重原子数：
  17.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  58.64
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-(4-methylthiazol-2-yl)quinazolin-4(3H)-one 在 三氯氧磷 作用下， 以 甲苯 为溶剂， 生成 2-(4-chloroquinazolin-2-yl)-4-methyl-1,3-thiazole
  参考文献：
  名称：

  Design of novel quinazoline derivatives and related analogues as potent and selective ALK5 inhibitors

  摘要：

  Starting from quinazoline 3a, we designed potent and selective ALK5 inhibitors over p38MAP kinase from a rational drug design approach based on co-crystal structures in the human ALK5 kinase domain. The quinazoline 3d exhibited also in vivo activity in an acute rat model of DMN-induced liver fibrosis when administered orally at 5 mg/kg (bid). (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.087
• 作为产物：
  描述：

  N-(2-carbamoylphenyl)-4-methyl-1,3-thiazole-2-carboxamide 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 2-(4-methylthiazol-2-yl)quinazolin-4(3H)-one
  参考文献：
  名称：

  Design of novel quinazoline derivatives and related analogues as potent and selective ALK5 inhibitors

  摘要：

  Starting from quinazoline 3a, we designed potent and selective ALK5 inhibitors over p38MAP kinase from a rational drug design approach based on co-crystal structures in the human ALK5 kinase domain. The quinazoline 3d exhibited also in vivo activity in an acute rat model of DMN-induced liver fibrosis when administered orally at 5 mg/kg (bid). (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.087

文献信息

• Dual Inhibition of <i>Mycobacterium tuberculosis</i> and the Host TGFBR1 by an Anilinoquinazoline
  作者：Meganathan Nandakumar、Anja Ollodart、Neil Fleck、Nirav R. Kapadia、Andrew Frando、Vishant Boradia、Jeffery L. Smith、Junxi Chen、William J. Zuercher、Timothy M. Willson、Christoph Grundner

  DOI：10.1021/acs.jmedchem.3c01273

  日期：2023.11.9