ethyl 3-[2-[[2-[2-(5-cyano-2-hydroxybenzenesulfonylamino)-ethyl]-5-isopropylphenyl]amino]acetylamino]propionate | 500303-36-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: ethyl 3-[2-[[2-[2-(5-cyano-2-hydroxybenzenesulfonylamino)-ethyl]-5-isopropylphenyl]amino]acetylamino]propionate
• 英文别名: Ethyl 3-[2-[[2-[2-(5-cyano-2-hydroxybenzenesulfonylamino)ethyl]-5-isopropylphenyl]amino]acetylamino]propionate；ethyl 3-[[2-[2-[2-[(5-cyano-2-hydroxyphenyl)sulfonylamino]ethyl]-5-propan-2-ylanilino]acetyl]amino]propanoate
• CAS: 500303-36-6
• 化学式: C₂₅H₃₂N₄O₆S
• 分子量: 516.618
• InChiKey: JPLGFMGNBBCIQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  36
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  166
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  ethyl [[2-[2-(5-cyano-2-hydroxybenzenesulfonylamino)-ethyl]-5-isopropylphenyl]amino]acetate 在 盐酸 、 sodium hydroxide 、 1-ethyl-3-(3-dimethylamino-propyl)-carbodiimide hydrochloride 作用下， 以 DMF (N,N-dimethyl-formamide) 、 乙醇 为溶剂， 反应 10.0h， 生成 ethyl 3-[2-[[2-[2-(5-cyano-2-hydroxybenzenesulfonylamino)-ethyl]-5-isopropylphenyl]amino]acetylamino]propionate
  参考文献：
  名称：

  EP1415983

  摘要：

  公开号：

文献信息

• 5-Amidino-N-(2-aminophenethyl)-2-hydroxybenzenesulfonamide derivative, medicinal composition containing the same, pharmaceutical use thereof, and intermediate therefor
  申请人：Okazaki Kosuke

  公开号：US20060111446A1

  公开（公告）日：2006-05-25

  The present invention relates to a 5-amidino-N-(2-aminophenethyl)-2-hydroxybenzenesulfonamide derivative represented by the general formula: wherein R 1 is a hydrogen atom or a lower alkyl group; R 2 represents a hydrogen atom, an optionally substituted lower alkyl group, etc.; R 3 is a di(lower alkyl)amino group, a lower alkyl group, a cycloalkyl group, etc.; Q is a hydrogen atom or an optionally substituted lower alkyl group; and Z is a hydrogen atom or a hydroxy group, etc., or a pharmaceutically acceptable salt thereof, which exerts a potent and selective activated blood coagulation factor X inhibitory activity and is useful as an agent for the prevention or treatment of a disease occurred associating an activated blood coagulation factor X, a pharmaceutical composition comprising the same, a pharmaceutical use thereof and an intermediate thereof.

  本发明涉及一种5-酰胺基-N-(2-氨基苯乙基)-2-羟基苯磺酰胺衍生物，其通式表示为：其中R1为氢原子或低碳基；R2表示氢原子、可选取代的低碳基等；R3为二(低碳基)氨基基团、低碳基、环烷基等；Q为氢原子或可选取代的低碳基；Z为氢原子或羟基等，或其药学上可接受的盐，具有强效和选择性的激活血凝因子X抑制活性，并可用作预防或治疗与激活血凝因子X相关的疾病的药物，以及包含该药物的制药组合物、其药用和中间体。
• 5-amidino-n-(2-aminophenethyl)-n-hydroxy-benzenesulffonamide derivative, medical composition containing the same, pharmaceutical use thereof and intermediate therefor
  申请人：——

  公开号：US20040242455A1

  公开（公告）日：2004-12-02

  The present invention relates to a 5-amidino-N-(2-aminophenethyl)-2-hydroxybenzenesulfonamide derivative represented by the general formula: 1 wherein R 1 is a hydrogen atom or a lower alkyl group; R 2 represents a hydrogen atom, an optionally substituted lower alkyl group, etc.; R 3 is a di(lower alkyl)amino group, a lower alkyl group, a cycloalkyl group, etc.; Q is a hydrogen atom or an optionally substituted lower alkyl group; and Z is a hydrogen atom or a hydroxy group, etc., or a pharmaceutically acceptable salt thereof, which exerts a potent and selective activated blood coagulation factor X inhibitory activity and is useful as an agent for the prevention or treatment of a disease occurred associating an activated blood coagulation factor X, a pharmaceutical composition comprising the same, a pharmaceutical use thereof and an intermediate thereof.

  本发明涉及一种由通式1表示的5-酰胺基-N-(2-氨基苯乙基)-2-羟基苯磺酰胺衍生物，其中R1是氢原子或较低的烷基；R2表示氢原子、可选取代的较低烷基等；R3是二(较低烷基)氨基基团、较低烷基基团、环烷基等；Q是氢原子或可选取代的较低烷基；Z是氢原子或羟基等，或其药学上可接受的盐，该化合物具有强效和选择性的激活血凝因子X抑制活性，并可用作预防或治疗与激活血凝因子X相关的疾病的药物，以及包含该化合物的制药组合物、其药物用途和中间体。
• 5-AMIDINO-N-(2-AMINOPHENETHYL)-HYDROXYBENZENESULFONAMIDE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND INTERMEDIATE THEREFOR
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：EP1415983A1

  公开（公告）日：2004-05-06

  The present invention relates to a 5-amidino-N-(2-aminophenethyl)-2-hydroxybenzenesulfonamide derivative represented by the general formula: wherein R1 is a hydrogen atom or a lower alkyl group; R2 represents a hydrogen atom, an optionally substituted lower alkyl group, etc.; R3 is a di(lower alkyl)amino group, a lower alkyl group, a cycloalkyl group, etc.; Q is a hydrogen atom or an optionally substituted lower alkyl group; and Z is a hydrogen atom or a hydroxy group, etc., or a pharmaceutically acceptable salt thereof, which exerts a potent and selective activated blood coagulation factor X inhibitory activity and is useful as an agent for the prevention or treatment of a disease occurred associating an activated blood coagulation factor X, a pharmaceutical composition comprising the same, a pharmaceutical use thereof and an intermediate thereof.

  本发明涉及由通式表示的5-脒基-N-(2-氨基苯乙基)-2-羟基苯磺酰胺衍生物： 其中 R1 是氢原子或低级烷基； R2 代表氢原子、任选取代的低级烷基等； R3 代表二（低级烷基）氨基、低级烷基、环烷基等； Q 是氢原子或任选取代的低级烷基；以及 Z 是氢原子或羟基等、 或其药学上可接受的盐、其药物组合物、其药物用途及其中间体。
• US7022689B2
  申请人：——

  公开号：US7022689B2

  公开（公告）日：2006-04-04
• EP1415983
  申请人：——

  公开号：——

  公开（公告）日：——