N-[3-Amidinobenzoyl]-N-[3-(4-tert-butylphenoxy) benzyl]-arginyl-glycyl-amide | 488839-44-7

• 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: N-[3-Amidinobenzoyl]-N-[3-(4-tert-butylphenoxy) benzyl]-arginyl-glycyl-amide
• 英文别名: N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-[[3-(4-tert-butylphenoxy)phenyl]methyl]-3-carbamimidoylbenzamide
• CAS: 488839-44-7
• 化学式: C₃₃H₄₂N₈O₄
• 分子量: 614.748
• InChiKey: PGMRKXUXAXZQMR-MHZLTWQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  45
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  216
• 氢给体数：
  6
• 氢受体数：
  6

文献信息

• Substituted amides, sulfonamides and ureas useful for inhibiting kinase activity
  申请人：——

  公开号：US20030087832A1

  公开（公告）日：2003-05-08

  Amide, sulfonamide and urea compounds having an inhibitory effect on Src kinase including enantiomers, stereoisomers and tautomers thereof, as well as pharmaceutically acceptable salts or solvates of said compound, said compound having the general structure shown in Formulae I and II: 1

  具有对Src激酶具有抑制作用的酰胺、磺酰胺和脲化合物，包括其对映体、立体异构体和互变异构体，以及所述化合物的药学上可接受的盐或溶剂化物，所述化合物具有公式I和II所示的一般结构：1
• Method of treating hyperresorptive bone disorders
  申请人：——

  公开号：US20030045480A1

  公开（公告）日：2003-03-06

  A method of treating hyperresorptive bone disorders through the direct inhibition of the Src protein tyrosine kinase involves administering a pharmaceutically effective amount of certain amide, sulfonamide, and urea compounds; whereas, these compounds may also be used for inhibiting the Src protein tyrosine kinase generally in humans for therapeutic purposes. An exemplary amide compound is N-[4-Amidinobenzoyl]-N-[3-phenoxybenzyl]-3-(4-biphenyl)-alanyl-glycyl-amide: 1

  一种通过直接抑制Src蛋白酪氨酸激酶来治疗高度吸收性骨疾病的方法包括给予某些酰胺、磺酰胺和脲类化合物的药物有效量；而这些化合物也可用于抑制人体内的Src蛋白酪氨酸激酶以达到治疗目的。一个典型的酰胺化合物是N-[4-Amidinobenzoyl]-N-[3-phenoxybenzyl]-3-(4-biphenyl)-alanyl-glycyl-amide:1。
• Substituted sulfonamides and ureas useful for inhibiting kinase activity
  申请人：Aventis Pharmaceuticals Inc.

  公开号：US20040204582A1

  公开（公告）日：2004-10-14

  Sulfonamide and urea compounds having an inhibitory effect on Src kinase including enantiomers, stereoisomers and tautomers thereof, as well as pharmaceutically acceptable salts or solvates of said compound, said compound having the general structure shown in Formula II are disclosed and claimed: 1

  本发明公开了对Src激酶具有抑制作用的磺酰胺和脲化合物，包括其对映体、立体异构体和同系物，以及所述化合物的药学上可接受的盐或溶液，所述化合物具有式II所示的一般结构： 1
• SUBSTITUTED AMIDES, SULFONAMIDES AND UREAS USEFUL FOR INHIBITING KINASE ACTIVITY
  申请人：Aventis Pharmaceuticals, Inc.

  公开号：EP1423373A2

  公开（公告）日：2004-06-02
• SUBSTITUTED SULFONAMIDES AND UREAS USEFUL FOR INHIBITING KINASE ACTIVITY
  申请人：SAFAR Pavel

  公开号：US20070191347A1

  公开（公告）日：2007-08-16

  Sulfonamide and urea compounds having an inhibitory effect on Src kinase including enantiomers, stereoisomers and tautomers thereof, as well as pharmaceutically acceptable salts or solvates of said compound, said compound having the general structure shown in Formula II are disclosed and claimed: