N2-cycloheptyl-N4-(3-fluoro-4-methoxy-phenyl)-N6-methyl-N6-(1-methyl-piperidin-4-yl)-1,3,5-triazine-2,4,6-triamine; citrate salt

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N2-cycloheptyl-N4-(3-fluoro-4-methoxy-phenyl)-N6-methyl-N6-(1-methyl-piperidin-4-yl)-1,3,5-triazine-2,4,6-triamine; citrate salt
• 英文别名: N2-cycloheptyl-N4-(3-fluoro-4-methoxy-phenyl)-N6-methyl-N6-(1-methyl-piperidin-4-yl)-1,3,5-triazine-2,4,6-triamine citrate salt；4-N-cycloheptyl-6-N-(3-fluoro-4-methoxyphenyl)-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-hydroxypropane-1,2,3-tricarboxylic acid
• 化学式: C₆H₈O₇*C₂₄H₃₆FN₇O
• 分子量: 649.72
• InChiKey: LMWQFVJNSZYPSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.18
• 重原子数：
  46
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  211
• 氢给体数：
  6
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  N2-cycloheptyl-N4-(3-fluoro-4-methoxy-phenyl)-N6-methyl-N6-(1-methyl-piperidin-4-yl)-1,3,5-triazine-2,4,6-triamine 、 柠檬酸 在 氮气 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以to afford a solid 168 (0.1387 g), mp 125° C的产率得到N2-cycloheptyl-N4-(3-fluoro-4-methoxy-phenyl)-N6-methyl-N6-(1-methyl-piperidin-4-yl)-1,3,5-triazine-2,4,6-triamine; citrate salt
  参考文献：
  名称：

  Methods and compositions of novel triazine compounds

  摘要：

  本发明涉及包含治疗由炎症反应引起的病理生理状态的化合物的方法和组合物。特别地，本发明涉及抑制或阻断糖基化蛋白质诱导内皮细胞信号相关炎症反应的化合物。本发明涉及抑制平滑肌增殖的化合物。特别地，本发明涉及通过调节HSPG（如Perlecan）抑制平滑肌细胞增殖的化合物。本发明进一步涉及使用化合物治疗以平滑肌增殖为特征的血管闭塞性疾病，如再狭窄和动脉硬化。

  公开号：

  US20060258641A1

文献信息

• [EN] METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS<br/>[FR] METHODES ET COMPOSITIONS A BASE DE NOUVEAUX COMPOSES DE TRIAZINE
  申请人：REDDY US THERAPEUTICS INC

  公开号：WO2004026844A1

  公开（公告）日：2004-04-01

  The present invention relates to methods and compositions comprising compounds that treat pathophysiological conditions arising from inflammatory responses. In particular, the present invention is directed to compounds that inhibit or block glycated protein produced induction of the signaling-associated inflammatory response in endothelial cells. The present invention relates to compounds that inhibit smooth muscle proliferation. In particular, the present invention is directed to compounds that inhibit smooth muscle cell proliferation by modulating HSPGs such as Perlecan. The present invention further relates to the use of compounds to treat vascular occlusive conditions characterized by smooth muscle proliferation such as restenosis and atherosclerosis.

  本发明涉及包含治疗由炎症反应引起的病理生理状况的化合物的方法和组合物。特别是，本发明涉及抑制或阻断在内皮细胞中由糖化蛋白产生的与信号传递相关的炎症反应的化合物。本发明还涉及抑制平滑肌细胞增殖的化合物。特别是，本发明涉及通过调节诸如Perlecan的HSPGs来抑制平滑肌细胞增殖的化合物。本发明进一步涉及使用化合物来治疗由平滑肌增殖特征的心血管闭塞性状况，如再狭窄和动脉粥样硬化。
• Methods and compositions of novel triazine compounds
  申请人：——

  公开号：US20040224950A1

  公开（公告）日：2004-11-11

  The present invention relates to methods and compositions comprising compounds that treat pathophysiological conditions arising from inflammatory responses. In particular, the present invention is directed to compounds that inhibit or block glycated protein produced induction of the signaling-associated inflammatory response in endothelial cells. The present invention relates to compounds that inhibit smooth muscle proliferation. In particular, the present invention is directed to compounds that inhibit smooth muscle cell proliferation by modulating HSPGs such as Perlecan. The present invention further relates to the use of compounds to treat vascular occlusive conditions characterized by smooth muscle proliferation such as restenosis and atherosclerosis.

  本发明涉及包含治疗由炎症反应引起的病理生理状况的化合物的方法和组合物。特别是，本发明旨在使用化合物来抑制或阻断在内皮细胞中由糖化蛋白产生的与信号传导相关的炎症反应。本发明还涉及抑制平滑肌增殖的化合物。特别是，本发明旨在使用通过调节如Perlecan之类的HSPGs来抑制平滑肌细胞增殖的化合物。本发明进一步涉及使用化合物来治疗由平滑肌增殖特征的心血管闭塞性状况，如再狭窄和动脉粥样硬化。
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  公开号：US7112587B2

  公开（公告）日：2006-09-26
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