2-cyano-N-(3-methoxybenzyl)-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetamide | 1425051-09-7

• 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-cyano-N-(3-methoxybenzyl)-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetamide
• 英文别名: 2-cyano-N-[(3-methoxyphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetamide
• CAS: 1425051-09-7
• 化学式: C₂₄H₂₆N₆O₂
• 分子量: 430.509
• InChiKey: ZIYQBTVQWQURSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  94.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-甲基哌嗪 、 2-(3-chloroquinoxalin-2-yl)-2-cyano-N-[(3-methoxyphenyl)methyl]acetamide 在 三乙胺 作用下， 以 异丙醇 为溶剂， 反应 4.0h， 生成 2-cyano-N-(3-methoxybenzyl)-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetamide
  参考文献：
  名称：

  Discovery and structure–activity relationships of small molecules that block the human immunoglobulin G–human neonatal Fc receptor (hIgG–hFcRn) protein–protein interaction

  摘要：

  The neonatal Fc receptor, FcRn, prolongs the half-life of IgG in the serum and represents a potential therapeutic target for the treatment of autoimmune disease. Small molecules that block the protein-protein interactions of human IgG-human FcRn may lower pathogenic autoantibodies and provide effective treatment. A novel class of quinoxalines has been discovered as antagonists of the IgG:FcRn protein-protein interaction through optimization of a hit derived from a virtual ligand-based screen. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.01.014

文献信息

• [EN] COMPOUNDS AND METHODS USEFUL FOR TREATING OR PREVENTING CANCERS<br/>[FR] COMPOSÉS ET MÉTHODES UTILES POUR LE TRAITEMENT OU LA PRÉVENTION DE CANCERS
  申请人：CORSELLO STEVEN M

  公开号：WO2018183936A1

  公开（公告）日：2018-10-04

  The present invention includes CSNK1A1 inhibitors that are useful in treating or preventing a cancer in a subject. In certain embodiments, the cancer comprises a hematological cancer, such as but not limited to acute myeloid leukemia (AML) and/or MDS (myelodysplastic syndrome, including 5q-MDS). In other embodiments, the cancer comprises colon cancer.

  本发明涉及CSNK1A1抑制剂，可用于治疗或预防受试者中的癌症。在某些实施例中，癌症包括血液系统癌症，如但不限于急性髓系白血病（AML）和/或MDS（髓增生异常综合征，包括5q-MDS）。在其他实施例中，癌症包括结肠癌。
• Discovery and structure–activity relationships of small molecules that block the human immunoglobulin G–human neonatal Fc receptor (hIgG–hFcRn) protein–protein interaction
  作者：Zhaolin Wang、Cara Fraley、Adam R. Mezo

  DOI：10.1016/j.bmcl.2013.01.014

  日期：2013.3

  The neonatal Fc receptor, FcRn, prolongs the half-life of IgG in the serum and represents a potential therapeutic target for the treatment of autoimmune disease. Small molecules that block the protein-protein interactions of human IgG-human FcRn may lower pathogenic autoantibodies and provide effective treatment. A novel class of quinoxalines has been discovered as antagonists of the IgG:FcRn protein-protein interaction through optimization of a hit derived from a virtual ligand-based screen. (c) 2013 Elsevier Ltd. All rights reserved.