4-(5-Bromo-2-hydroxy-phenyl)-6-chloro-pyrimidin-2-ylamine | 774608-07-0

• 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-(5-Bromo-2-hydroxy-phenyl)-6-chloro-pyrimidin-2-ylamine
• 英文别名: 2-(2-amino-6-chloro-pyrimidin-4-yl)-4-bromo-phenol；2-(2-amino-6-chloropyrimidin-4-yl)-4-bromophenol
• CAS: 774608-07-0
• 化学式: C₁₀H₇BrClN₃O
• 分子量: 300.542
• InChiKey: PXDXMHJRCQWXRA-UHFFFAOYSA-N

物化性质

• 沸点：
  492.1±55.0 °C(Predicted)
• 密度：
  1.767±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  72
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(5-bromo-2-propoxy-phenyl)-6-chloro-pyrimidin-2-ylamine 、 4-(5-Bromo-2-hydroxy-phenyl)-6-chloro-pyrimidin-2-ylamine 以 异丙醇 为溶剂， 以provided 4-(5-bromo-2-isopropoxy-phenyl)-6-chloro-pyrimidin-2-ylamine (68% yield)的产率得到4-(5-bromo-2-isopropoxy-phenyl)-6-chloro-pyrimidin-2-ylamine
  参考文献：
  名称：

  Pyrimidines and uses thereof

  摘要：

  本发明涉及嘧啶及其用途，包括抑制溶血磷脂酸酰转移酶β（LPAAT-β）活性和/或细胞增殖，如肿瘤细胞。

  公开号：

  US07419984B2
• 作为产物：
  描述：

  5-溴-2-甲氧苯基硼酸 在 palladium diacetate 、 三溴化硼 、 sodium carbonate 、 三苯基膦 作用下， 以 乙二醇二甲醚 、 二氯甲烷 为溶剂， 生成 4-(5-Bromo-2-hydroxy-phenyl)-6-chloro-pyrimidin-2-ylamine
  参考文献：
  名称：

  Synthesis, SAR, and antitumor properties of diamino- C , N -diarylpyrimidine positional isomers: inhibitors of lysophosphatidic acid acyltransferase-β

  摘要：

  2,4-Diamino-N-4,6-diarylpyrimidines were identified as potent, isoform specific inhibitors of lysophosphatidic acid acyltransferase-beta (LPAAT-beta). Active inhibitors also blocked proliferation of tumor cell lines in vitro. The effect of 2j in an in vivo tumor model was investigated. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.104

文献信息

• 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。
• PYRIMIDINES AND USES THEREOF
  申请人：BHATT Rama

  公开号：US20090099183A1

  公开（公告）日：2009-04-16

  The invention relates to pyrimidines and uses thereof, including to inhibit lysophosphatidic acid acyltransferase β (LPAAT-β) activity and/or proliferation of cells such as tumor-cells.

  本发明涉及嘧啶及其用途，包括抑制溶血磷脂酸酰转移酶β（LPAAT-β）活性和/或细胞增殖，例如肿瘤细胞。
• 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
• US7419984B2
  申请人：——

  公开号：US7419984B2

  公开（公告）日：2008-09-02
• [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.