(S)-3-tert-Butoxycarbonylamino-7-(3-o-tolyl-ureido)-heptanoic acid 2-trimethylsilanyl-ethyl ester | 290310-71-3

• 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: (S)-3-tert-Butoxycarbonylamino-7-(3-o-tolyl-ureido)-heptanoic acid 2-trimethylsilanyl-ethyl ester
• 英文别名: 2-trimethylsilylethyl (3S)-7-[(2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate
• CAS: 290310-71-3
• 化学式: C₂₅H₄₃N₃O₅Si
• 分子量: 493.719
• InChiKey: GZNDATUFNKDSMJ-FQEVSTJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.45
• 重原子数：
  34
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  106
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (S)-3-tert-Butoxycarbonylamino-7-(3-o-tolyl-ureido)-heptanoic acid 2-trimethylsilanyl-ethyl ester 在 甲酸 作用下， 以100%的产率得到H-βHly(Tac)-TMSE
  参考文献：
  名称：

  The design and synthesis of the high efficacy, non-peptide CCK 1 receptor agonist PD 170292

  摘要：

  The design, synthesis and biological actions of a novel, non-peptide CCK1 receptor agonist (PD 170292) which exhibits a similar pharmacological profile to the CCK analogue JMV180 is reported. PD 170292 was designed based on a consideration of the structures of a peptide based CCK1 receptor selective agonist and a peptoid CCK2 receptor selective antagonist. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00198-0
• 作为产物：
  描述：

  N-alpha-叔丁氧羰基-L-赖氨酸 在 TEA 、 silver benzoate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 (S)-3-tert-Butoxycarbonylamino-7-(3-o-tolyl-ureido)-heptanoic acid 2-trimethylsilanyl-ethyl ester
  参考文献：
  名称：

  The design and synthesis of the high efficacy, non-peptide CCK 1 receptor agonist PD 170292

  摘要：

  The design, synthesis and biological actions of a novel, non-peptide CCK1 receptor agonist (PD 170292) which exhibits a similar pharmacological profile to the CCK analogue JMV180 is reported. PD 170292 was designed based on a consideration of the structures of a peptide based CCK1 receptor selective agonist and a peptoid CCK2 receptor selective antagonist. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00198-0

文献信息

• The design and synthesis of the high efficacy, non-peptide CCK 1 receptor agonist PD 170292
  作者：N. Bernad、B.G.M. Burgaud、D.C. Horwell、R.A. Lewthwaite、J. Martinez、M.C. Pritchard

  DOI：10.1016/s0960-894x(00)00198-0

  日期：2000.6

  The design, synthesis and biological actions of a novel, non-peptide CCK1 receptor agonist (PD 170292) which exhibits a similar pharmacological profile to the CCK analogue JMV180 is reported. PD 170292 was designed based on a consideration of the structures of a peptide based CCK1 receptor selective agonist and a peptoid CCK2 receptor selective antagonist. (C) 2000 Elsevier Science Ltd. All rights reserved.