N-(1-aza-bicyclo[2.2.2]oct-3-yl)-N'-(3-chloro-4-methoxy-phenyl)-N"-(1-ethyl-pyrrolidin-2-ylmethyl)-[1,3,5]triazine-2,4,6-triamine | 502767-64-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(1-aza-bicyclo[2.2.2]oct-3-yl)-N'-(3-chloro-4-methoxy-phenyl)-N"-(1-ethyl-pyrrolidin-2-ylmethyl)-[1,3,5]triazine-2,4,6-triamine
• 英文别名: N2-(1-aza-bicyclo[2.2.2]oct-3-yl)-N4-(3-chloro-4-methoxy-phenyl)-N6-(1-ethyl-pyrrolidin-2-ylmethyl)-[1,3,5]triazine-2,4,6-triamine；2-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-N-(3-chloro-4-methoxyphenyl)-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
• CAS: 502767-64-8
• 化学式: C₂₄H₃₅ClN₈O
• 分子量: 487.048
• InChiKey: ZAGHFSFXTJQIJL-UHFFFAOYSA-N

物化性质

• 沸点：
  649.8±65.0 °C(Predicted)
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  90.5
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  N-乙基-2-氨甲基吡咯烷 、 (3-chloro-4-methoxy-phenyl)-(4,6-dichloro-[1,3,5]triazin-2-yl)-amine 、 3-aminoquinuclidine dihydrochloride 在 N,N-二异丙基乙胺 作用下， 以 乙腈 、 1,4-二氧六环 为溶剂， 以2%的产率得到N-(1-aza-bicyclo[2.2.2]oct-3-yl)-N'-(3-chloro-4-methoxy-phenyl)-N"-(1-ethyl-pyrrolidin-2-ylmethyl)-[1,3,5]triazine-2,4,6-triamine
  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信号相关炎症反应的化合物。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疾病，如再狭窄和动脉粥样硬化。

  公开号：

  US20040209880A1

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。
• Medical devices employing triazine compounds and compositions thereof
  申请人：Timmer T. Richard

  公开号：US20050113341A1

  公开（公告）日：2005-05-26

  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.

  本发明涉及使用化合物治疗由炎症反应引起的病理生理状态的方法和组合物。具体而言，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。具体而言，本发明涉及通过调节HSPGs，如Perlecan，抑制平滑肌细胞增殖的化合物。本发明还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，如再狭窄和动脉粥样硬化。
• US7112587B2
  申请人：——

  公开号：US7112587B2

  公开（公告）日：2006-09-26
• US7132423B2
  申请人：——

  公开号：US7132423B2

  公开（公告）日：2006-11-07
• US7173032B2
  申请人：——

  公开号：US7173032B2

  公开（公告）日：2007-02-06