2-amino-5-bromo-4-chloro-6-(5-chloro-2-methoxy-phenyl)-pyrimidine | 774607-99-7

• 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: 2-amino-5-bromo-4-chloro-6-(5-chloro-2-methoxy-phenyl)-pyrimidine
• 英文别名: 5-bromo-4-chloro-6-(5-chloro-2-methoxy-phenyl)-pyrimidin-2ylamine；5-Bromo-4-chloro-6-(5-chloro-2-methoxy-phenyl)-pyrimidin-2ylamine；5-bromo-4-chloro-6-(5-chloro-2-methoxyphenyl)pyrimidin-2-amine
• CAS: 774607-99-7
• 化学式: C₁₁H₈BrCl₂N₃O
• 分子量: 349.014
• InChiKey: FEKAECCHGIIJLD-UHFFFAOYSA-N

物化性质

• 沸点：
  480.2±55.0 °C(Predicted)
• 密度：
  1.681±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 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：

  2-amino-5-bromo-4-chloro-6-(5-chloro-2-methoxy-phenyl)-pyrimidine 在 三氯化硼 、 水 作用下， 以 二氯甲烷 为溶剂， 生成 2-amino-5-bromo-4-chloro-6-(5-chloro-2-hydroxy-phenyl)-pyrimidine
  参考文献：
  名称：

  WO2007/90852

  摘要：

  公开号：
• 作为产物：
  描述：

  4-chloro-6-(5-chloro-2-methoxy-phenyl)-pyrimidin-2-yl-amine 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 乙腈 为溶剂， 生成 2-amino-5-bromo-4-chloro-6-(5-chloro-2-methoxy-phenyl)-pyrimidine
  参考文献：
  名称：

  Identification and hit-to-lead exploration of a novel series of histamine H4 receptor inverse agonists

  摘要：

  The identification and hit-to-lead exploration of a novel, potent and selective series of histamine H(4) receptor inverse agonists is described. The initial hit, 3A (IC(50) 19 nM) was identified by means of a ligand-based virtual screening approach. Subsequent medicinal chemistry exploration yielded 18I which possessed increased potency (R-enantiomer IC(50) 1 nM) as well as enhanced microsomal stability. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.097

文献信息

• Pyrimidines and uses thereof
  申请人：Cell Therapeutics, Inc.

  公开号：US20040204386A1

  公开（公告）日：2004-10-14

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

  这项发明涉及嘧啶类化合物及其用途，包括抑制溶磷脂酸酰基转移酶β（LPAAT-β）活性和/或抑制肿瘤细胞等细胞的增殖。
• Amino pyrimidine compounds for the treatment of inflammatory disorders
  申请人：Cellzome (UK) Ltd.

  公开号：EP1829879A1

  公开（公告）日：2007-09-05

  The present invention relates to novel amino pyrimidine compounds having the general formula (I) for the modulation of the histamine H4 receptor and the treatment or prevention of conditions mediated by the histamine H4 receptor. The invention also relates to the preparation of such compounds.

  本发明涉及一种具有一般式（I）的新型氨基嘧啶化合物，用于调节组胺H4受体并治疗或预防由组胺H4受体介导的疾病。本发明还涉及制备这种化合物的方法。
• 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。
• Enantiomers of Amino Pyrimidine compounds for the treatment of inflammatory disorders
  申请人：Cellzome (UK) Ltd.

  公开号：EP1860108A1

  公开（公告）日：2007-11-28

  The present invention relates to novel enantiomers of amino pyrimidine compounds for the modulation of the histamine H4 receptor and the treatment or prevention of conditions mediated by the histamine H4 receptor. The invention also relates to the preparation of such compounds.

  本发明涉及用于调节组胺 H4 受体和治疗或预防由组胺 H4 受体介导的疾病的新型氨基嘧啶化合物对映体。本发明还涉及此类化合物的制备。
• Azetidine amino pyrimidine compounds for the treatment of inflammatory disorders
  申请人：Cellzome (UK) Ltd.

  公开号：EP1860109A1

  公开（公告）日：2007-11-28

  The present invention relates to novel azetidine amino pyrimidine compounds of formula (I) for the modulation of the histamine H4 receptor and the treatment or prevention of conditions mediated by the histamine H4 receptor. The invention also relates to the preparation of such compounds.

  本发明涉及新型的式(I)氮杂环丁氨基嘧啶化合物，用于调节组胺 H4 受体和治疗或预防由组胺 H4 受体介导的疾病。本发明还涉及此类化合物的制备。