6-Chloro-2-(5-chloro-2-methoxy-phenyl)-pyrimidin-4-yl-amine | 794494-75-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 6-Chloro-2-(5-chloro-2-methoxy-phenyl)-pyrimidin-4-yl-amine
• 英文别名: 6-chloro-2-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine
• CAS: 794494-75-0
• 化学式: C₁₁H₉Cl₂N₃O
• 分子量: 270.118
• InChiKey: NXHLANDQBIBRMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 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：

  6-氨基吲唑 、 6-Chloro-2-(5-chloro-2-methoxy-phenyl)-pyrimidin-4-yl-amine 在 盐酸 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 生成 2-(5-Chloro-2-methoxy-phenyl)-N-(1H-indazol-6-yl)-pyrimidine-4,6-diamine
  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
• 作为产物：
  描述：

  5-氯-2-甲氧基苯甲腈 在 盐酸 、 氨 、 sodium methylate 、 三氯氧磷 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 6-Chloro-2-(5-chloro-2-methoxy-phenyl)-pyrimidin-4-yl-amine
  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

• 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。
• 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。
• US7419984B2
  申请人：——

  公开号：US7419984B2

  公开（公告）日：2008-09-02
• Synthesis, SAR, and antitumor properties of diamino- C , N -diarylpyrimidine positional isomers: inhibitors of lysophosphatidic acid acyltransferase-β
  作者：Baoqing Gong、Feng Hong、Cory Kohm、Scott Jenkins、John Tulinsky、Rama Bhatt、Peter de Vries、Jack W Singer、Peter Klein

  DOI：10.1016/j.bmcl.2004.01.104

  日期：2004.5

  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.