N-(4-(4-(5-cyanothiazol-2-ylamino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylthio)phenyl)propionamide

• 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-(4-(4-(5-cyanothiazol-2-ylamino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylthio)phenyl)propionamide
• 英文别名: N-(4-(4-(5-Cyanothiazol-2-ylamino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylthio)phenyl)propionamide；N-[4-[4-[(5-cyano-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylphenyl]propanamide
• 化学式: C₂₂H₂₄N₈OS₂
• 分子量: 480.618
• InChiKey: NAPYBUXVSPNZAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  33.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  110.07
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  2-(6-chloro-2-methanesulfonyl-pyrimidin-4-ylamino) thiazole-5-carbonitrile 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 8.5h， 生成 N-(4-(4-(5-cyanothiazol-2-ylamino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylthio)phenyl)propionamide
  参考文献：
  名称：

  Protein Kinase Conjugates and Inhibitors

  摘要：

  该发明涉及含有蛋白激酶的蛋白共轭物，该蛋白激酶在ATP结合位点含有半胱氨酸残基，并且与该半胱氨酸残基共价且不可逆地结合的抑制剂，从而不可逆地抑制了蛋白激酶的活性。该发明还涉及不可逆地抑制蛋白激酶的化合物。

  公开号：

  US20170174691A1

文献信息

• Protein kinase conjugates and inhibitors
  申请人：Celgene Avilomics Research, Inc.

  公开号：US10662195B2

  公开（公告）日：2020-05-26

  The invention relates to protein conjugates that contain a protein kinase containing a cysteine residue in the ATP binding site and an inhibitor that is covalently and irreversibly bonded to said cysteine residue, such that the activity of the protein kinase is irreversibly inhibited. The invention also relates to compounds that irreversibly inhibit protein kinases.

  本发明涉及一种蛋白质共轭物，其中含有一种在 ATP 结合位点中含有半胱氨酸残基的蛋白激酶和一种与所述半胱氨酸残基共价且不可逆地结合的抑制剂，从而不可逆地抑制蛋白激酶的活性。本发明还涉及不可逆地抑制蛋白激酶的化合物。
• PROTEIN KINASE CONJUGATES AND INHIBITORS
  申请人：Avila Therapeutics, Inc.

  公开号：EP2478361A2

  公开（公告）日：2012-07-25
• US9556426B2
  申请人：——

  公开号：US9556426B2

  公开（公告）日：2017-01-31
• [EN] PROTEIN KINASE CONJUGATES AND INHIBITORS<br/>[FR] CONJUGUÉS ET INHIBITEURS DE PROTÉINE KINASE
  申请人：AVILA THERAPEUTICS INC

  公开号：WO2011034907A2

  公开（公告）日：2011-03-24

  The invention relates to protein conjugates that contain a protein kinase containgn a cysteine residue in the ATP binding site and an inhibitor that is covalently and irreversibly bonded to said cysteine residue, such that the activity of the protein kinase is irreversibly inhibited. The invention also relates to compounds that irreversibly inhibit protein kinases.
• Protein Kinase Conjugates and Inhibitors
  申请人：Celgene Avilomics Research, Inc.

  公开号：US20170174691A1

  公开（公告）日：2017-06-22

  The invention relates to protein conjugates that contain a protein kinase containing a cysteine residue in the ATP binding site and an inhibitor that is covalently and irreversibly bonded to said cysteine residue, such that the activity of the protein kinase is irreversibly inhibited. The invention also relates to compounds that irreversibly inhibit protein kinases.

  该发明涉及含有蛋白激酶的蛋白共轭物，该蛋白激酶在ATP结合位点含有半胱氨酸残基，并且与该半胱氨酸残基共价且不可逆地结合的抑制剂，从而不可逆地抑制了蛋白激酶的活性。该发明还涉及不可逆地抑制蛋白激酶的化合物。