1-(4-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)ethanone | 1203844-70-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-(4-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)ethanone
• 英文别名: 1-(4-(4-Amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)ethan-1-one；1-[4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]ethanone
• CAS: 1203844-70-5
• 化学式: C₁₂H₁₅IN₆O
• 分子量: 386.195
• InChiKey: SZXAOCLGPMNIQY-UHFFFAOYSA-N

物化性质

• 沸点：
  598.1±50.0 °C(Predicted)
• 密度：
  2.06±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  89.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(4-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)ethanone 在 盐酸 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 乙二醇二甲醚 、 水 为溶剂， 生成 2-(4-amino-1-(4-N-acetyl-piperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol
  参考文献：
  名称：

  MTOR MODULATORS AND USES THEREOF

  摘要：

  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。

  公开号：

  US20160000789A1
• 作为产物：
  描述：

  4-氨基吡唑并[3,4-d]嘧啶 在 N-碘代丁二酰亚胺 、 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 1-(4-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)ethanone
  参考文献：
  名称：

  MTOR MODULATORS AND USES THEREOF

  摘要：

  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。

  公开号：

  US20160000789A1

文献信息

• 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。
• Development of potent and selective Plasmodium falciparum calcium-dependent protein kinase 4 (PfCDPK4) inhibitors that block the transmission of malaria to mosquitoes
  作者：Rama Subba Rao Vidadala、Kayode K. Ojo、Steven M. Johnson、Zhongsheng Zhang、Stephen E. Leonard、Arinjay Mitra、Ryan Choi、Molly C. Reid、Katelyn R. Keyloun、Anna M.W. Fox、Mark Kennedy、Tiffany Silver-Brace、Jen C.C. Hume、Stefan Kappe、Christophe L.M.J. Verlinde、Erkang Fan、Ethan A. Merritt、Wesley C. Van Voorhis、Dustin J. Maly

  DOI：10.1016/j.ejmech.2013.12.048

  日期：2014.3

  Malaria remains a major health concern for a large percentage of the world's population. While great strides have been made in reducing mortality due to malaria, new strategies and therapies are still needed. Therapies that are capable of blocking the transmission of Plasmodium parasites are particularly attractive, but only primaquine accomplishes this, and toxicity issues hamper its widespread use. In this study, we describe a series of pyrazolopyrimidine- and imidazopyrazine-based compounds that are potent inhibitors of PfCDPK4, which is a calcium-activated Plasmodium protein lcinase that is essential for exflagellation of male gametocytes. Thus, PfCDPK4 is essential for the sexual development of Plasmodium parasites and their ability to infect mosquitoes. We demonstrate that two structural features in the ATPbinding site of PfCDPK4 can be exploited in order to obtain potent and selective inhibitors of this enzyme. Furthermore, we demonstrate that pyrazolopyrimidine-based inhibitors that are potent inhibitors of the in vitro activity of PfCDPK4 are also able to block Plasmodium falciparum exflagellation with no observable toxicity to human cells. This medicinal chemistry effort serves as a valuable starting point in the development of safe, transmission-blocking agents for the control of malaria. (C) 2014 Elsevier Masson SAS. All rights reserved.
• [EN] KINASE INHIBITORS AND METHODS OF USE<br/>[FR] INHIBITEURS DE KINASES ET PROCÉDÉS D'UTILISATION
  申请人：INTELLIKINE INC

  公开号：WO2010006086A3

  公开（公告）日：2010-04-15
• Development of <i>Toxoplasma gondii</i> Calcium-Dependent Protein Kinase 1 (<i>Tg</i>CDPK1) Inhibitors with Potent Anti-<i>Toxoplasma</i> Activity
  作者：Steven M. Johnson、Ryan C. Murphy、Jennifer A. Geiger、Amy E. DeRocher、Zhongsheng Zhang、Kayode K. Ojo、Eric T. Larson、B. Gayani K. Perera、Edward J. Dale、Panqing He、Molly C. Reid、Anna M. W. Fox、Natascha R. Mueller、Ethan A. Merritt、Erkang Fan、Marilyn Parsons、Wesley C. Van Voorhis、Dustin J. Maly

  DOI：10.1021/jm201713h

  日期：2012.3.8

  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.
• 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.