4-(2-methoxy-5-bromo-phenyl)-pyrimidin-2-ylamine | 915070-51-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-(2-methoxy-5-bromo-phenyl)-pyrimidin-2-ylamine
• 英文别名: 4-(5-bromo-2-methoxyphenyl)pyrimidin-2-amine
• CAS: 915070-51-8
• 化学式: C₁₁H₁₀BrN₃O
• 分子量: 280.124
• InChiKey: QTXIVURAWYIEIC-UHFFFAOYSA-N

物化性质

• 沸点：
  425.3±53.0 °C(Predicted)
• 密度：
  1.525±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  61
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(2-methoxy-5-bromo-phenyl)-pyrimidin-2-ylamine 在 四(三苯基膦)钯 、 三氟二甲基硫醚络合物 作用下， 以 乙二醇二甲醚 、 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 反应 52.67h， 生成 5-allyl-3'-(2-aminopyrimidin-4-yl)-[1,1'-biphenyl]-2,4'-diol
  参考文献：
  名称：

  Synthesis and neurite growth evaluation of new analogues of honokiol, a neolignan with potent neurotrophic activity

  摘要：

  A versatile synthetic route is reported towards the preparation of new analogues for potent neurotrophic agent biaryl-type lignan honokiol. A focused 24-membered library of derivatives containing five different groups at 5'-position of honokiol has been prepared in fair to good overall yields. Compared to the natural product, or to analogues with a short alkyl chain in this position, these new derivatives have lost most of the neurotrophic activity. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.12.015
• 作为产物：
  描述：

  1-(5-Bromo-2-methoxyphenyl)prop-2-yn-1-ol 在 Jones reagent 、 sodium carbonate 作用下， 以 丙酮 、 乙腈 为溶剂， 反应 8.5h， 生成 4-(2-methoxy-5-bromo-phenyl)-pyrimidin-2-ylamine
  参考文献：
  名称：

  Synthesis and neurite growth evaluation of new analogues of honokiol, a neolignan with potent neurotrophic activity

  摘要：

  A versatile synthetic route is reported towards the preparation of new analogues for potent neurotrophic agent biaryl-type lignan honokiol. A focused 24-membered library of derivatives containing five different groups at 5'-position of honokiol has been prepared in fair to good overall yields. Compared to the natural product, or to analogues with a short alkyl chain in this position, these new derivatives have lost most of the neurotrophic activity. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.12.015

文献信息

• Pyrimidine Derivatives As HSP90 Inhibitors
  申请人：Chessari Gianni

  公开号：US20090215777A1

  公开（公告）日：2009-08-27

  The invention provides a compound for use as an inhibitor of Hsp90, the compound having the formula (I): or salts, tautomers, solvates or N-oxides thereof; wherein: A is N or a group CR 3 ; R 1 is a monocyclic or bicyclic carbocyclic or heterocyclic ring of 5 to 10 ring members of which up to two ring members may be heteroatoms selected from N, O and S and the remainder are carbon atoms, the carbocyclic or heterocyclic ring being optionally substituted by one or more substituent groups independently selected from R 10 ; and R 2 , R 3 and R 10 are as defined in the claims.

  该发明提供了一种化合物，用作Hsp90的抑制剂，该化合物具有以下式（I）：或其盐、互变异构体、溶剂合物或N-氧化物；其中：A为N或CR基团；R1为由5至10个环成员组成的单环或双环碳环或杂环，其中最多两个环成员可以是从N、O和S中选择的杂原子，其余为碳原子，碳环或杂环可以选择地被一个或多个取代基独立地选择自R10的取代基取代；而R2、R3和R10如权利要求中所定义。
• Inhibitors of protein kinase for the treatment of disease
  申请人：——

  公开号：US20030187007A1

  公开（公告）日：2003-10-02

  The present invention is directed in part towards methods of modulating the function of protein kinases with phenol- and hydroxynaphthalene-based compounds. The methods incorporate cells that express a protein kinase. In addition, the invention describes methods of preventing and treating protein kinase-related abnormal conditions in organisms with a compound identified by the invention. Furthermore, the invention pertains to phenol- and hydroxynaphthalene-based compounds and pharmaceutical compositions comprising these compounds.

  本发明部分涉及使用基于酚和羟基萘的化合物调节蛋白激酶功能的方法。这些方法涉及表达蛋白激酶的细胞。此外，该发明描述了使用本发明鉴定的化合物预防和治疗生物体中与蛋白激酶相关的异常情况的方法。此外，该发明涉及基于酚和羟基萘的化合物以及包含这些化合物的药物组合物。
• INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE
  申请人：LG Biomedical Institute

  公开号：EP1412327A2

  公开（公告）日：2004-04-28
• [EN] INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE<br/>[FR] INHIBITEURS DE LA PROTEINE KINASE DESTINES AU TRAITEMENT D'UNE MALADIE
  申请人：LG BIOMEDICAL INST

  公开号：WO2002096867A2

  公开（公告）日：2002-12-05

  The present invention is directed in part towards methods of modulating the function of protein kinases with phenol- and hydroxynaphthalene-based compounds. The methods incorporate cells that express a protein kinase. In addition, the invention describes methods of preventing and treating protein kinase-related abnormal conditions in organisms with a compound identified by the invention. Furthermore, the invention pertains to phenol- and hydroxynaphthalene-based compounds and pharmaceutical compositions comprising these compounds.
• Synthesis and neurite growth evaluation of new analogues of honokiol, a neolignan with potent neurotrophic activity
  作者：Vemula Praveen Kumar、R. Gajendra Reddy、Duc Duy Vo、Sumana Chakravarty、Srivari Chandrasekhar、René Grée

  DOI：10.1016/j.bmcl.2011.12.015

  日期：2012.2

  A versatile synthetic route is reported towards the preparation of new analogues for potent neurotrophic agent biaryl-type lignan honokiol. A focused 24-membered library of derivatives containing five different groups at 5'-position of honokiol has been prepared in fair to good overall yields. Compared to the natural product, or to analogues with a short alkyl chain in this position, these new derivatives have lost most of the neurotrophic activity. (C) 2011 Elsevier Ltd. All rights reserved.