2-(3-Carbamimidoyl-phenoxy)-N-[4-(4-methyl-piperazine-1-carbonyl)-phenyl]-acetamide

• 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: 2-(3-Carbamimidoyl-phenoxy)-N-[4-(4-methyl-piperazine-1-carbonyl)-phenyl]-acetamide
• 英文别名: 2-(3-carbamimidoylphenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
• 化学式: C₂₁H₂₅N₅O₃
• 分子量: 395.461
• InChiKey: VLODMPAGVYPFRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  112
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-氰基苯酚 在 lithium hydroxide 、 TEA 、 盐酸羟胺 、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 potassium carbonate 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(3-Carbamimidoyl-phenoxy)-N-[4-(4-methyl-piperazine-1-carbonyl)-phenyl]-acetamide
  参考文献：
  名称：

  Design and synthesis of glycolic and mandelic acid derivatives as factor Xa inhibitors

  摘要：

  A series of glycolic and mandelic acid derivatives was synthesized and investigated for their factor Xa inhibitory activity. These analogues are highly potent and selective inhibitors against fXa. In a rabbit deep vein thrombosis model, compound 26 showed significant antithrombotic effects (81% inhibition of thrombus formation) at 1.1 muM plasma concentration following intravenous administration. (C) 2001 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(01)00447-4

文献信息

• INHIBITORS OF FACTOR Xa
  申请人：COR THERAPEUTICS, INC.

  公开号：EP1183235A2

  公开（公告）日：2002-03-06
• [EN] INHIBITORS OF FACTOR Xa<br/>[FR] INHIBITEURS DU FACTEUR Xa
  申请人：COR THERAPEUTICS INC

  公开号：WO2000071510A2

  公开（公告）日：2000-11-30

  Compounds of formula A - Y - D - E - G - J - Z - L in which D is direct link, a substutited or unsubstituted phenyl or napththyl group or a heterocyclic ring system; and the other variables are as defined in the claims, their salts and compositions relating thereto having activity against mammalian factor Xa are disclosed. The compounds are useful in vitro or in vivo for preventing or treating coagulation disorders.
• Design and synthesis of glycolic and mandelic acid derivatives as factor Xa inhibitors
  作者：Ting Su、Yanhong Wu、Brandon Doughan、Kim Kane-Maguire、Charles K Marlowe、James P Kanter、John Woolfrey、Brian Huang、Paul Wong、Uma Sinha、Gary Park、John Malinowski、Stan Hollenbach、Robert M Scarborough、Bing-Yan Zhu

  DOI：10.1016/s0960-894x(01)00447-4

  日期：2001.9

  A series of glycolic and mandelic acid derivatives was synthesized and investigated for their factor Xa inhibitory activity. These analogues are highly potent and selective inhibitors against fXa. In a rabbit deep vein thrombosis model, compound 26 showed significant antithrombotic effects (81% inhibition of thrombus formation) at 1.1 muM plasma concentration following intravenous administration. (C) 2001 Published by Elsevier Science Ltd.