N-(3-bromobenzyl)-2-[3-(4-carbamimidoylphenyl)-ureido]-acetamide

• 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: N-(3-bromobenzyl)-2-[3-(4-carbamimidoylphenyl)-ureido]-acetamide
• 英文别名: N-(3-Bromo-benzyl)-2-[3-(4-carbamimidoyl-phenyl)-ureido]-acetamide；N-[(3-bromophenyl)methyl]-2-[(4-carbamimidoylphenyl)carbamoylamino]acetamide
• 化学式: C₁₇H₁₈BrN₅O₂
• 分子量: 404.266
• InChiKey: ASOAXNORDNMUOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  120
• 氢给体数：
  5
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-[3-(4-carbamimidoylphenyl)ureido]acetic acid ethyl ester 在 N-乙基吗啉 、 sodium hydroxide 、 O-[(ethoxycarbonyl)cyanomethyleneamino]-N,N,N',N'-tetramethyluronium tetrafluoroborate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-(3-bromobenzyl)-2-[3-(4-carbamimidoylphenyl)-ureido]-acetamide
  参考文献：
  名称：

  新型基于a基苯基脲的VIIa因子抑制剂的设计，合成及构效关系。

  摘要：

  凝血因子VIIa的选择性抑制最近作为抗血栓治疗的有趣方法而受到关注。使用基于结构的设计和X射线晶体学支持的平行合成，我们能够鉴定出对因子VIIa具有显着亲和力的一系列新的a基苯基脲衍生物。最有效的化合物显示出VIIa因子的K（i）值为23 nM。

  DOI：

  10.1016/s0960-894x(03)00168-9

文献信息

• Liquid, aqueous pharmaceutical compositions of factor VII polypeptides
  申请人：Jensen Bech Michael

  公开号：US20060205648A1

  公开（公告）日：2006-09-14

  The present invention is directed to liquid, aqueous pharmaceutical compositions stabilised against chemical and/or physical degradation containing Factor VII polypeptides, and methods for preparing and using such compositions, as well as vials containing such compositions, and the use of such compositions in the treatment of a Factor VII-responsive syndrome. The main embodiment is represented by a liquid, aqueous pharmaceutical composition comprising at least 0.01 mg/mL of a Factor VII polypeptide (i); a buffering agent (ii) suitable for keeping pH in the range of from about 4.0 to about 9.0; and at least one stabilising agent (iii) comprising a —C(═N-Z 1 -R 1 )—NH-Z 2 -R 2 motif, e.g. benzamidine compounds and guanidine compounds such as arginine.

  本发明涉及含有因子 VII 多肽的防止化学和/或物理降解的液体、水性药物组合物，制备和使用此类组合物的方法，以及含有此类组合物的小瓶，以及使用此类组合物治疗因子 VII 反应性综合征。主要的实施方案是一种液体水性药物组合物，它包含至少 0.01 mg/mL 的因子 VII 多肽 (i)；一种缓冲剂 (ii)，适用于将 pH 值保持在约 4.0 至约 9.0 的范围内；以及至少一种稳定剂 (iii)，它包含-C(═N-Z-1) 1 -R 1 ）-NH-Z 2 -R 2 基团，例如苯甲脒化合物和胍类化合物（如精氨酸）。
• LIQUID, AQUEOUS PHARMACEUTICAL COMPOSITION OF FACTOR VII POLYPEPTIDES
  申请人：Novo Nordisk Health Care AG

  公开号：EP1656158A2

  公开（公告）日：2006-05-17
• Liquid, Aqueous Pharmaceutical Compositions of Factor VII Polypeptides
  申请人：Jensen Michael Bech

  公开号：US20100056453A1

  公开（公告）日：2010-03-04

  The present invention is directed to liquid, aqueous pharmaceutical compositions stabilised against chemical and/or physical degradation containing Factor VII polypeptides, and methods for preparing and using such compositions, as well as vials containing such compositions, and the use of such compositions in the treatment of a Factor VII-responsive syndrome. The main embodiment is represented by a liquid, aqueous pharmaceutical composition comprising at least 0.01 mg/mL of a Factor VII polypeptide (i); a buffering agent (ii) suitable for keeping pH in the range of from about 4.0 to about 9.0; and at least one stabilising agent (iii) comprising a —C(═N—Z 1 —R 1 )—NH—Z 2 —R 2 motif, e.g. benzamidine compounds and guanidine compounds such as arginine.
• LIQUID, AQUEOUS PHARMACEUTICAL COMPOSITIONS OF FACTOR VII POLYPEPTIDES
  申请人：Jensen Michael Bech

  公开号：US20120003206A1

  公开（公告）日：2012-01-05

  The present invention is directed to liquid, aqueous pharmaceutical compositions stabilised against chemical and/or physical degradation containing Factor VII polypeptides, and methods for preparing and using such compositions, as well as vials containing such compositions, and the use of such compositions in the treatment of a Factor VII-responsive syndrome. The main embodiment is represented by a liquid, aqueous pharmaceutical composition comprising at least 0.01 mg/mL of a Factor VII polypeptide (i); a buffering agent (ii) suitable for keeping pH in the range of from about 4.0 to about 9.0; and at least one stabilising agent (iii) comprising a —C(═N—Z 1 —R 1 )—NH—Z 2 —R 2 motif, e.g. benzamidine compounds and guanidine compounds such as arginine.
• US7732405B2
  申请人：——

  公开号：US7732405B2

  公开（公告）日：2010-06-08