Tert-butyl 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)indole-1-carboxylate | 1203844-14-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: Tert-butyl 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)indole-1-carboxylate
• CAS: 1203844-14-7
• 化学式: C₂₁H₂₄N₆O₂
• 分子量: 392.461
• InChiKey: QPQGPLLSLWVNFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Tert-butyl 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)indole-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 3-(1H-indol-2-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
  参考文献：
  名称：

  Development of Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitors with Potent Anti-Toxoplasma Activity

  摘要：

  Toxoplasmosis is a disease of prominent health concern that is caused by the protozoan parasite Toxoplasma gondii. Proliferation of T. gondii is dependent on its ability to invade host cells, which is mediated in part by calcium-dependent protein kinase 1 (CDPK1). We have developed ATP competitive inhibitors of TgCDPK1 that block invasion of parasites into host cells, preventing their proliferation. The presence of a unique glycine gatekeeper residue in TgCDPK1 permits selective inhibition of the parasite enzyme over human kinases. These potent TgCDPK1 inhibitors do not inhibit the growth of human cell lines and represent promising candidates as toxoplasmosis therapeutics.

  DOI：

  10.1021/jm201713h
• 作为产物：
  描述：

  3-碘-1-异丙基-1H-吡唑并[3,4-D]嘧啶-4-胺 、 1-Boc-吲哚-2-硼酸 在 四(三苯基膦)钯 、 水 、 sodium carbonate 作用下， 以 乙二醇二甲醚 为溶剂， 反应 1.0h， 生成 Tert-butyl 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)indole-1-carboxylate
  参考文献：
  名称：

  Development of Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitors with Potent Anti-Toxoplasma Activity

  摘要：

  Toxoplasmosis is a disease of prominent health concern that is caused by the protozoan parasite Toxoplasma gondii. Proliferation of T. gondii is dependent on its ability to invade host cells, which is mediated in part by calcium-dependent protein kinase 1 (CDPK1). We have developed ATP competitive inhibitors of TgCDPK1 that block invasion of parasites into host cells, preventing their proliferation. The presence of a unique glycine gatekeeper residue in TgCDPK1 permits selective inhibition of the parasite enzyme over human kinases. These potent TgCDPK1 inhibitors do not inhibit the growth of human cell lines and represent promising candidates as toxoplasmosis therapeutics.

  DOI：

  10.1021/jm201713h

文献信息

• METHODS AND COMPOSITIONS FOR TREATMENT OF OPHTHALMIC CONDITIONS
  申请人：Wilson Troy Edward

  公开号：US20110269779A1

  公开（公告）日：2011-11-03

  The present invention provides chemical entities or compounds and pharmaceutical compositions thereof that are capable of modulating signal transduction by certain protein kinases such as mTor, tyrosine kinases, and/or lipid kinases such as PB kinase in an ocular tissue. Also provided in the present invention are methods of using these compositions to modulate activities of one or more of these kinases, especially for therapeutic applications.

  本发明提供了能够调节特定蛋白激酶（如mTor、酪氨酸激酶和/或脂质激酶如PB激酶）在眼组织中的信号传导的化学实体或化合物以及其制药组合物。本发明还提供了利用这些组合物调节这些激酶中的一个或多个的活性的方法，特别是用于治疗应用。
• MTOR MODULATORS AND USES THEREOF
  申请人：The Regents of the University of California

  公开号：US20160000789A1

  公开（公告）日：2016-01-07

  The present invention provides methods and compositions for selective modulation of certain protein kinases, and especially mTor complexes. The methods and compositions are particularly useful in inhibiting mTor selectively for therapeutic applications.

  本发明提供了选择性调节特定蛋白激酶，尤其是mTor复合物的方法和组合物。该方法和组合物特别适用于选择性抑制mTor以用于治疗应用。
• KINASE INHIBITORS AND METHODS OF USE
  申请人：Ren Pingda

  公开号：US20110172228A1

  公开（公告）日：2011-07-14

  The present invention provides chemical entities or compounds and pharmaceutical compositions thereof that are capable of modulating certain protein kinases such as mTor, tyrosine kinases, and/or lipid kinases such as PI3 kinase. Also provided in the present invention are methods of using these compositions to modulate activities of one or more of these kinases, especially for therapeutic applications.

  本发明提供了化学实体或化合物以及其制备的药物组合物，这些药物组合物能够调节某些蛋白激酶，如mTor、酪氨酸激酶和/或脂质激酶，如PI3激酶。本发明还提供了使用这些组合物调节其中一个或多个激酶活性的方法，特别是用于治疗应用。
• MTOR Modulators and Uses Thereof
  申请人：Shokat Kevan M.

  公开号：US20110224223A1

  公开（公告）日：2011-09-15

  The present invention provides methods and compositions for selective modulation of certain protein kinases, and especially mTor complexes. The methods and compositions are particularly useful in inhibiting mTor selectively for therapeutic applications.
• US9096611B2
  申请人：——

  公开号：US9096611B2

  公开（公告）日：2015-08-04