N-(tert-butyl)quinazolin-2-amine | 1438395-92-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: N-(tert-butyl)quinazolin-2-amine
• 英文别名: N-tert-butylquinazolin-2-amine
• CAS: 1438395-92-6
• 化学式: C₁₂H₁₅N₃
• 分子量: 201.271
• InChiKey: NFMPIETYRAHVGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  37.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  异氰酸叔丁酯 、 2-氨基苄胺 在 叔丁基过氧化氢 、 碘 作用下， 以 甲基叔丁基醚 为溶剂， 反应 12.0h， 以83%的产率得到N-(tert-butyl)quinazolin-2-amine
  参考文献：
  名称：

  I 2 / TBHP介导的基于氨基的双亲核试剂和异氰酸酯的氧化偶联：在无金属条件下使用2-氨基苯并恶嗪酮，2-氨基苯并恶嗪和2-氨基喹唑啉

  摘要：

  描述了I 2 /叔丁基氢过氧化物（TBHP）介导的异氰酸酯与氨基基双亲核试剂的氧化偶联反应，用于以中等至优异的产率合成2-氨基苯并恶嗪酮，2-氨基苯并恶嗪和2-氨基喹唑啉。此外，该方法提供了一种简单而实用的方法来构建潜在的功能化生物活性分子。

  DOI：

  10.1021/acs.joc.8b02395

文献信息

• Sustainable Synthesis of Diverse Privileged Heterocycles by Palladium-Catalyzed Aerobic Oxidative Isocyanide Insertion
  作者：Tjøstil Vlaar、Razvan C. Cioc、Pieter Mampuys、Bert U. W. Maes、Romano V. A. Orru、Eelco Ruijter

  DOI：10.1002/anie.201207410

  日期：2012.12.21

  O2 in, H2O out: Various diamines and related bisnucleophiles readily undergo oxidative isocyanide insertion with Pd(OAc)2 (1 mol %) as the catalyst and O2 as the terminal oxidant to give a diverse array of medicinally relevant N heterocycles. The utility of this highly sustainable method is demonstrated by a formal synthesis of the antihistamines astemizole and norastemizole.

  O 2 in，H 2 O out：各种二胺和相关的双亲核试剂易于经历氧化异氰化物的插入，其中Pd（OAc）2（1 mol％）作为催化剂，O 2作为末端氧化剂，可得到多种与医学相关的N杂环。抗组胺药阿司咪唑和去甲阿司咪唑的正式合成证明了这种高度可持续性方法的实用性。
• Relay tricyclic Pd(<scp>ii</scp>)/Ag(<scp>i</scp>) catalysis: design of a four-component reaction driven by nitrene-transfer on isocyanide yields inhibitors of EGFR
  作者：Devesh M. Sawant、Shivani Sharma、Ramdas S. Pathare、Gaurav Joshi、Sourav Kalra、Sukanya Sukanya、Antim K. Maurya、Ramesh K. Metre、Vijai K. Agnihotri、Shahnawaz Khan、Raj Kumar、R. T. Pardasani

  DOI：10.1039/c8cc05845h

  日期：——

  Synthesis of pyrazolo[1,5-c]quinazolines from four easily available precursors is presented through a one-pot tricyclic Pd(II)/Ag(I) relay catalysis. The bimetallic relay cascade forges five new chemical bonds by concatenating six discrete chemical steps. The relay catalysis enables four-component assembly of pyrazolo[1,5-c]quinazolines that selectively inhibit EGFR, exhibit apoptosis through the ROS-induced

  通过一锅三环Pd（II）/ Ag（I）中继催化反应，从四种容易获得的前体合成吡唑并[1,5- c ]喹唑啉。双金属继电器级联通过串联六个不连续的化学步骤来形成五个新的化学键。中继催化能够实现吡唑并[1,5- c ]喹唑啉的四组分组装，吡唑并[1,5- c ]喹唑啉选择性抑制EGFR，通过ROS诱导的线粒体介导的途径表现出凋亡，并将细胞周期阻滞在G1期。
• Hepatitis B antiviral agents
  申请人：Enanta Pharmaceuticals, Inc.

  公开号：US10738035B2

  公开（公告）日：2020-08-11

  The present invention discloses compounds of Formula (I), or pharmaceutically acceptable salts, esters, or prodrugs thereof: X-A-Y—Z-L-R1  (I) which inhibit the protein(s) encoded by hepatitis B virus (HBV) or interfere with the function of the HBV life cycle of the hepatitis B virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HBV infection. The invention also relates to methods of treating an HBV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明公开了式（I）化合物或其药学上可接受的盐、酯或原药： X-A-Y-Z-L-R1 (I) 其可抑制乙型肝炎病毒（HBV）编码的蛋白质或干扰乙型肝炎病毒 HBV 生命周期的功能，也可用作抗病毒药物。本发明进一步涉及包含上述化合物的药物组合物，用于给受 HBV 感染的患者用药。本发明还涉及通过施用包含本发明化合物的药物组合物治疗受试者 HBV 感染的方法。
• Hepatitis B Antiviral Agents
  申请人：Enanta Pharmaceuticals, Inc.

  公开号：US20160332996A1

  公开（公告）日：2016-11-17

  The present invention discloses compounds of Formula (I), or pharmaceutically acceptable salts, esters, or prodrugs thereof: X-A-Y—Z-L-R 1 (I) which inhibit the protein(s) encoded by hepatitis B virus (HBV) or interfere with the function of the HBV life cycle of the hepatitis B virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HBV infection. The invention also relates to methods of treating an HBV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.