3-(6-ethoxynaphthalen-2-yl)-1-(2-(1-methylpiperidin-4-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | 1363386-76-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-(6-ethoxynaphthalen-2-yl)-1-(2-(1-methylpiperidin-4-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
• 英文别名: 3-(6-Ethoxy-2-naphthyl)-1-[2-(1-methyl-4-piperidyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine；3-(6-ethoxynaphthalen-2-yl)-1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
• CAS: 1363386-76-8
• 化学式: C₂₅H₃₀N₆O
• 分子量: 430.553
• InChiKey: VMJDTDAOGXXLRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  82.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 在 sodium methylate 、 溶剂黄146 、 sodium cyanoborohydride 作用下， 以 甲醇 为溶剂， 反应 0.17h， 生成 3-(6-ethoxynaphthalen-2-yl)-1-(2-(1-methylpiperidin-4-yl)ethyl)-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

文献信息

• [EN] BUMPED KINASE INHIBITOR COMPOSITIONS AND METHODS FOR TREATING CANCER<br/>[FR] COMPOSITIONS D'INHIBITEUR DE KINASE À BOSSES ET MÉTHODES DE TRAITEMENT DU CANCER
  申请人：UNIV WASHINGTON

  公开号：WO2016123151A1

  公开（公告）日：2016-08-04

  The present disclosure is generally directed to bumped kinase inhibitor (BKI) compositions and methods for treating cancer.

  本公开涉及通常用于治疗癌症的凸起激酶抑制剂（BKI）组合物和方法。
• Compositions and methods for treating toxoplasmosis, cryptosporidiosis and other apicomplexan protozoan related diseases
  申请人：UNIVERSITY OF WASHINGTON

  公开号：US10307425B2

  公开（公告）日：2019-06-04

  The present disclosure is directed to compositions and methods for inhibiting either Toxoplasma gondii (T. gondii) calcium dependent protein kinases (TgCDPKs) or Cryptosporidium parvum (C. parvum) and Cryptosporidium hominus (C. hominus) calcium dependent protein kinases (CpCDPKs) using pyrazolopyrimidine and/or imidazo[1,5-α]pyrazine inhibitors, of the Formula (I), wherein the variables X, Y, Z, R1, and R3 are defined herein.

  本公开涉及使用吡唑嘧啶和/或咪唑并[1,5-α]吡嗪抑制剂抑制弓形虫（T. gondii）钙依赖性蛋白激酶（TgCDPKs）或隐孢子虫（C. parvum）和隐孢子虫（C. hominus）钙依赖性蛋白激酶（CpCDPKs）的组合物和方法。或咪唑并[1,5-α]吡嗪抑制剂，其中变量 X、Y、Z、R1 和 R3 在本文中定义。
• Bumped kinase inhibitor compositions and methods for treating cancer
  申请人：UNIVERSITY OF WASHINGTON

  公开号：US10350211B2

  公开（公告）日：2019-07-16

  The present disclosure is generally directed to bumped kinase inhibitor (BKI) compositions and methods for treating cancer.

  本公开总体上针对治疗癌症的撞击激酶抑制剂（BKI）组合物和方法。
• COMPOSITIONS AND METHODS FOR TREATING TOXOPLASMOSIS, CRYPTOSPORIDIOSIS AND OTHER APICOMPLEXAN PROTOZOAN RELATED DISEASES
  申请人：University of Washington

  公开号：EP3250290A1

  公开（公告）日：2017-12-06
• BUMPED KINASE INHIBITOR COMPOSITIONS AND METHODS FOR TREATING CANCER
  申请人：UNIVERSITY OF WASHINGTON

  公开号：US20180271871A1

  公开（公告）日：2018-09-27

  The present disclosure is generally directed to bumped kinase inhibitor (BKI) compositions and methods for treating cancer.