2-[3-Benzo[1,3]dioxol-5-yl-5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-4-(2-methoxy-ethoxymethoxy)-phenyl]-succinic acid dimethyl ester | 878674-69-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-[3-Benzo[1,3]dioxol-5-yl-5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-4-(2-methoxy-ethoxymethoxy)-phenyl]-succinic acid dimethyl ester
• CAS: 878674-69-2
• 化学式: C₃₁H₃₂N₄O₉
• 分子量: 604.616
• InChiKey: MCBLCWHEKQJGSO-UHFFFAOYSA-N

物化性质

• 沸点：
  787.2±70.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)

反应信息

• 作为反应物：
  描述：

  2-[3-Benzo[1,3]dioxol-5-yl-5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-4-(2-methoxy-ethoxymethoxy)-phenyl]-succinic acid dimethyl ester 在 盐酸 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 1.0h， 生成 2-[3-Benzo[1,3]dioxol-5-yl-5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-4-hydroxy-phenyl]-succinic acid dimethyl ester
  参考文献：
  名称：

  Factor VIIa inhibitors: Gaining selectivity within the trypsin family

  摘要：

  Within the trypsin family of coagulation proteases, obtaining highly selective inhibitors of factor VIIa has been challenging. We report a series of factor Vila (fVIIa) inhibitors based on the 5-amidino-2-(2-hydroxy-biphenyl-3-yl)-benzimidazole (1) scaffold with potency for fVIIa and high selectivity against factors IIa, Xa, and trypsin. With this scaffold class, we propose that a unique hydrogen bond interaction between a hydroxyl on the distal ring of the biaryl system and the backbone carbonyl of fVIIa lysine-192 provides a basis for enhanced selectivity and potency for fVIIa. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.040
• 作为产物：
  描述：

  2-[3-Benzo[1,3]dioxol-5-yl-5-formyl-4-(2-methoxy-ethoxymethoxy)-phenyl]-succinic acid dimethyl ester 、 3,4-diaminobenzamidine monohydrochloride 在 对苯醌 作用下， 以 甲醇 为溶剂， 反应 6.0h， 以90%的产率得到2-[3-Benzo[1,3]dioxol-5-yl-5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-4-(2-methoxy-ethoxymethoxy)-phenyl]-succinic acid dimethyl ester
  参考文献：
  名称：

  Factor VIIa inhibitors: Gaining selectivity within the trypsin family

  摘要：

  Within the trypsin family of coagulation proteases, obtaining highly selective inhibitors of factor VIIa has been challenging. We report a series of factor Vila (fVIIa) inhibitors based on the 5-amidino-2-(2-hydroxy-biphenyl-3-yl)-benzimidazole (1) scaffold with potency for fVIIa and high selectivity against factors IIa, Xa, and trypsin. With this scaffold class, we propose that a unique hydrogen bond interaction between a hydroxyl on the distal ring of the biaryl system and the backbone carbonyl of fVIIa lysine-192 provides a basis for enhanced selectivity and potency for fVIIa. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.040