1-((S)-2-Benzyloxycarbonylamino-3-phenyl-propionylamino)-cyclohexanecarboxylic acid methyl ester | 155689-53-5

• 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: 1-((S)-2-Benzyloxycarbonylamino-3-phenyl-propionylamino)-cyclohexanecarboxylic acid methyl ester
• 英文别名: methyl 1-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]cyclohexane-1-carboxylate
• CAS: 155689-53-5
• 化学式: C₂₅H₃₀N₂O₅
• 分子量: 438.524
• InChiKey: OLSACUINLSSOSC-NRFANRHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  32
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  93.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-((S)-2-Benzyloxycarbonylamino-3-phenyl-propionylamino)-cyclohexanecarboxylic acid methyl ester 在 palladium on activated charcoal N-甲基吗啉 、 氢气 、 四氯化钛 、 sodium hydride 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 (2S)-2-[[1-[[(2S)-2-acetamido-3-[4-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl]phenyl]propanoyl]amino]cyclohexanecarbonyl]amino]-N-[3-(5-methylindol-1-yl)propyl]butanediamide
  参考文献：
  名称：

  Highly potent inhibitors of the Grb2-SH2 domain

  摘要：

  Highly potent inhibitors of the Grb2-SH2 domain have been synthesized. They share the common sequence: Ac-Pmp-Ac(6)c-Asn-NH-(3-indolyl-propyl). Different substituents at the 3-indolyl-propylamine C-terminal group were explored to further improve the activity. This is the first example of inhibitors of SH2 domains with sub-nanomolar affinity reported to date. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00701-x
• 作为产物：
  描述：

  N-苄氧羰基-L-苯丙氨酸 、 1-氨基-1-环己烷羧酸甲酯盐酸盐 在 O-(1,2-dihydro-2-oxo-1-pyridyl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-((S)-2-Benzyloxycarbonylamino-3-phenyl-propionylamino)-cyclohexanecarboxylic acid methyl ester
  参考文献：
  名称：

  Highly potent inhibitors of the Grb2-SH2 domain

  摘要：

  Highly potent inhibitors of the Grb2-SH2 domain have been synthesized. They share the common sequence: Ac-Pmp-Ac(6)c-Asn-NH-(3-indolyl-propyl). Different substituents at the 3-indolyl-propylamine C-terminal group were explored to further improve the activity. This is the first example of inhibitors of SH2 domains with sub-nanomolar affinity reported to date. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00701-x

文献信息

• Protein kinase inhibitors
  申请人：——

  公开号：US20020002169A1

  公开（公告）日：2002-01-03

  Disclosed are compounds which inhibit or modulate the activity of protein kinases and pharmaceutical compositions containing such compounds. The disclosed compound contain two or more ligand moieties covalently linked together by one or more linking groups. Such compounds are useful for treating diseases or medical disorders mediated by protein kinases.

  本发明涉及抑制或调节蛋白激酶活性的化合物和含有这些化合物的制药组合物。所述化合物由一个或多个连接基团共价链接在一起的两个或更多配体基团组成。这些化合物对于治疗由蛋白激酶介导的疾病或医学障碍是有用的。
• US6750241B2
  申请人：——

  公开号：US6750241B2

  公开（公告）日：2004-06-15
• US7037912B2
  申请人：——

  公开号：US7037912B2

  公开（公告）日：2006-05-02
• US7173039B2
  申请人：——

  公开号：US7173039B2

  公开（公告）日：2007-02-06
• [EN] PROTEIN KINASE INHIBITORS<br/>[FR] INHIBITEURS DE PROTEINE KINASE
  申请人：ADVANCED MEDICINE INC

  公开号：WO2001042243A2

  公开（公告）日：2001-06-14

  Disclosed are compounds which inhibit or modulate the activity of protein kinases and pharmaceutical compositions containing such compounds. The disclosed compound contain two or more ligand moieties covalently linked together by one or more linking groups. Such compounds are useful for treating diseases or medical disorders mediated by protein kinases.