2-(5-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl)acetamide | 425639-60-7

• 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: 2-(5-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl)acetamide
• 英文别名: 2-[5-Methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide
• CAS: 425639-60-7
• 化学式: C₁₆H₂₁N₅O
• 分子量: 299.376
• InChiKey: ZVBUXARWQHOSOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  75.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  吲哚-3-乙醛酸甲酯 、 2-(5-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl)acetamide 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 生成 3-(1H-indol-3-yl)-4-[5-methyl-2-(4-methylpiperazin-1-yl)-quinazolin-4-yl]pyrrole-2,5-dione
  参考文献：
  名称：

  Structure–Activity Relationship and Pharmacokinetic Studies of Sotrastaurin (AEB071), a Promising Novel Medicine for Prevention of Graft Rejection and Treatment of Psoriasis

  摘要：

  Protein kinase C (PKC) isotypes have emerged as key targets for the blockade of early T-cell activation. Herein, we report on the structure - activity relationship and the detailed physicochemical and in vivo pharmacokinetic properties of sotrastaurin (AEB071, 1), a novel maleimide-based PKC inhibitor currently in phase II clinical trials. Most notably, the preferred uptake of sotrastaurin into lymphoid tissues is an important feature, which is likely to contribute to its in vivo efficacy.

  DOI：

  10.1021/jm200469u
• 作为产物：
  描述：

  2,4-二氯-5-甲基喹唑啉 在 sodium hydride 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 、 mineral oil 为溶剂， 反应 1.0h， 生成 2-(5-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl)acetamide
  参考文献：
  名称：

  Structure–Activity Relationship and Pharmacokinetic Studies of Sotrastaurin (AEB071), a Promising Novel Medicine for Prevention of Graft Rejection and Treatment of Psoriasis

  摘要：

  Protein kinase C (PKC) isotypes have emerged as key targets for the blockade of early T-cell activation. Herein, we report on the structure - activity relationship and the detailed physicochemical and in vivo pharmacokinetic properties of sotrastaurin (AEB071, 1), a novel maleimide-based PKC inhibitor currently in phase II clinical trials. Most notably, the preferred uptake of sotrastaurin into lymphoid tissues is an important feature, which is likely to contribute to its in vivo efficacy.

  DOI：

  10.1021/jm200469u

文献信息

• NOVEL THIENOPYRROLE COMPOUNDS
  申请人：Wishart Neil

  公开号：US20110152243A1

  公开（公告）日：2011-06-23

  The invention provides a compound of Formula (I) pharmaceutically acceptable salts, pro-drugs, biologically active metabolites, stereoisomers and isomers thereof wherein the variable are defined herein. The compounds of the invention are useful for treating immunological and oncological conditions.

  该发明提供了公式（I）的化合物，包括药用盐、前药、生物活性代谢物、立体异构体和同分异构体，其中变量在此处定义。该发明的化合物可用于治疗免疫和肿瘤疾病。