4-(5-{4-[4-(3-chloro-4-methoxy-phenylamino)-6-cycloheptylamino-[1,3,5]triazin-2-ylamino]-piperidin-1-yl}-5-oxo-pentyl)-hexahydro-thieno[3,4-d]imidazol-2-one | 866768-94-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 生物素及其衍生物
• 英文名称: 4-(5-{4-[4-(3-chloro-4-methoxy-phenylamino)-6-cycloheptylamino-[1,3,5]triazin-2-ylamino]-piperidin-1-yl}-5-oxo-pentyl)-hexahydro-thieno[3,4-d]imidazol-2-one
• 英文别名: 4-[5-[4-[[4-(3-Chloro-4-methoxyanilino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]amino]piperidin-1-yl]-5-oxopentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one
• CAS: 866768-94-7
• 化学式: C₃₂H₄₆ClN₉O₃S
• 分子量: 672.295
• InChiKey: RDTJEMYASGZCJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  46
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  171
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  N2-(3-chloro-4-methoxy-phenyl)-N4-cycloheptyl-N6-piperidin-4-yl-1,3,5-triazine-2,4,6-triamine 、 biotin N-hydroxysuccinimide ester 在 N,N-二异丙基乙胺 作用下， 以 二甲基亚砜 为溶剂， 反应 5.5h， 以79.7%的产率得到4-(5-{4-[4-(3-chloro-4-methoxy-phenylamino)-6-cycloheptylamino-[1,3,5]triazin-2-ylamino]-piperidin-1-yl}-5-oxo-pentyl)-hexahydro-thieno[3,4-d]imidazol-2-one
  参考文献：
  名称：

  Triazine compounds and their analogs, compositions, and methods

  摘要：

  本发明涉及三嗪化合物及其类似物和衍生物，以及包含这些化合物的方法和组合物。本发明的化合物和组合物可用于治疗由炎症反应引起的病理生理条件，抑制或阻断糖化蛋白诱导内皮细胞中与信号相关的炎症反应，抑制平滑肌增殖，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等。

  公开号：

  US20050227983A1

文献信息

• US7335770B2
  申请人：——

  公开号：US7335770B2

  公开（公告）日：2008-02-26
• [EN] TRIAZINE COMPOUNDS AND THEIR ANALOGS, COMPOSITIONS, AND METHODS<br/>[FR] COMPOSES A BASE DE TRIAZINE ET LEURS ANALOGUES, COMPOSITIONS, ET PROCEDES
  申请人：REDDY US THERAPEUTICS INC

  公开号：WO2005103015A1

  公开（公告）日：2005-11-03

  The present invention relates to triazine compounds and their analogs and derivatives, and methods and compositions comprising these compounds. The compounds and compositions of this invention are useful for, among other things, treating pathophysiological conditions arising from inflammatory responses, inhibiting or blocking glycated protein produced induction of the signaling-associated inflammatory response in endothelial cells, inhibiting smooth muscle proliferation, treating vascular occlusive conditions characterized by smooth muscle proliferation such as restenosis and atherosclerosis, and the like.
• Triazine compounds and their analogs, compositions, and methods
  申请人：Timmer T. Richard

  公开号：US20050227983A1

  公开（公告）日：2005-10-13

  The present invention relates to triazine compounds and their analogs and derivatives, and methods and compositions comprising these compounds. The compounds and compositions of this invention are useful for, among other things, treating pathophysiological conditions arising from inflammatory responses, inhibiting or blocking glycated protein produced induction of the signaling-associated inflammatory response in endothelial cells, inhibiting smooth muscle proliferation, treating vascular occlusive conditions characterized by smooth muscle proliferation such as restenosis and atherosclerosis, and the like.

  本发明涉及三嗪化合物及其类似物和衍生物，以及包含这些化合物的方法和组合物。本发明的化合物和组合物可用于治疗由炎症反应引起的病理生理条件，抑制或阻断糖化蛋白诱导内皮细胞中与信号相关的炎症反应，抑制平滑肌增殖，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等。