3-(3-aminophenyl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | 1351926-78-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(3-aminophenyl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
• 英文别名: 3-(3-aminophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
• CAS: 1351926-78-7
• 化学式: C₁₄H₁₆N₆
• 分子量: 268.321
• InChiKey: LLBUAMILMAXMCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  95.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-氯乙烷磺酰氯 、 3-(3-aminophenyl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以23%的产率得到N-(3-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl)ethenesulfonamide
  参考文献：
  名称：

  METHODS AND COMPOSITIONS FOR KINASE INHIBITION

  摘要：

  本发明提出了一种新的化学遗传学方法，用于构建携带半胱氨酸守门蛋白残基的激酶酶，并用于开发与之配套的亲电性抑制剂。本发明还提供了一种具有半胱氨酸守门蛋白的Src原癌基因酪氨酸激酶，其重现了野生型活性，并且可以在体外和细胞内被不可逆地抑制。本发明还提供了调节激酶和治疗与激酶相关疾病的方法和组合物。

  公开号：

  US20130137708A1

文献信息

• Methods and compositions for kinase inhibition
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US09353116B2

  公开（公告）日：2016-05-31

  The present invention sets forth a new chemical genetic approach for engineering kinase enzymes with a cysteine gatekeeper residue as well as for developing electrophilic inhibitors thereto. The present invention also provides a Src proto-oncogenic tyrosine kinase with a cysteine gatekeeper that recapitulates wild type activity and can be irreversibly inhibited both in vitro and in cells. The present invention also provides methods and compositions for modulating kinases and for treating kinase-associate diseases.

  本发明提出了一种新的化学遗传学方法，用于工程化具有半胱氨酸门卫残基的激酶酶以及开发电泳性抑制剂。本发明还提供了一种具有半胱氨酸门卫的Src原癌性酪氨酸激酶，其重现了野生型活性，并且可以在体外和细胞内被不可逆地抑制。本发明还提供了调节激酶和治疗激酶相关疾病的方法和组合物。
• US9353116B2
  申请人：——

  公开号：US9353116B2

  公开（公告）日：2016-05-31
• [EN] METHODS AND COMPOSITIONS FOR KINASE INHIBITION<br/>[FR] MÉTHODES ET COMPOSITIONS POUR L'INHIBITION DE KINASES
  申请人：UNIV CALIFORNIA

  公开号：WO2011153553A2

  公开（公告）日：2011-12-08

  The present invention sets forth a new chemical genetic approach for engineering kinase enzymes with a cysteine gatekeeper residue as well as for developing electrophilic inhibitors thereto. The present invention also provides a Src proto-oncogenic tyrosine kinase with a cysteine gatekeeper that recapitulates wild type activity and can be irreversibly inhibited both in vitro and in cells. The present invention also provides methods and compositions for modulating kinases and for treating kinase-associated diseases.
• METHODS AND COMPOSITIONS FOR KINASE INHIBITION
  申请人：The Regents of The University of California

  公开号：US20130137708A1

  公开（公告）日：2013-05-30

  The present invention sets forth a new chemical genetic approach for engineering kinase enzymes with a cysteine gatekeeper residue as well as for developing electrophilic inhibitors thereto. The present invention also provides a Src proto-oncogenic tyrosine kinase with a cysteine gatekeeper that recapitulates wild type activity and can be irreversibly inhibited both in vitro and in cells. The present invention also provides methods and compositions for modulating kinases and for treating kinase-associated diseases.

  本发明提出了一种新的化学遗传学方法，用于构建携带半胱氨酸守门蛋白残基的激酶酶，并用于开发与之配套的亲电性抑制剂。本发明还提供了一种具有半胱氨酸守门蛋白的Src原癌基因酪氨酸激酶，其重现了野生型活性，并且可以在体外和细胞内被不可逆地抑制。本发明还提供了调节激酶和治疗与激酶相关疾病的方法和组合物。