H-h-β-Arg-Arg-Pro-Tyr-Ile-Leu-OH | 1024612-26-7

• 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: H-h-β-Arg-Arg-Pro-Tyr-Ile-Leu-OH
• 英文别名: β(3)hArg-Arg-Pro-Tyr-Ile-Leu-OH；(S)-2-((2S,3S)-2-((S)-2-((S)-1-((S)-2-((S)-3-amino-6-guanidinohexanamido)-5-guanidinopentanoyl)pyrrolidine-2-carboxamido)-3-(4-hydroxyphenyl)propanamido)-3-methylpentanamido)-4-methylpentanoic acid；(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(3S)-3-amino-6-(diaminomethylideneamino)hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
• CAS: 1024612-26-7
• 化学式: C₃₉H₆₆N₁₂O₈
• 分子量: 831.029
• InChiKey: VKGJDQSMFSHQMF-ASPXTORKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.5
• 重原子数：
  59
• 可旋转键数：
  25
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  349
• 氢给体数：
  11
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  Fmoc-L-脯氨酸 、 Fmoc-L-异亮氨酸 、 Fmoc-O-叔丁基-L-酪氨酸 、 Nβ-Fmoc-Nω-(2,2,5,7,8-五甲基色满-6-磺酰基)-L-β-高精氨酸 、 alkaline earth salt of/the/ methylsulfuric acid 、 alkaline earth salt of/the/ methylsulfuric acid 生成 H-h-β-Arg-Arg-Pro-Tyr-Ile-Leu-OH
  参考文献：
  名称：

  Peptide backbone modifications on the C-terminal hexapeptide of neurotensin

  摘要：

  To compare backbone-induced susceptibilities with affinity changes that are caused by side-chain modifications in the respective positions, structure activity relationship studies on a series of NT(8-13) analogues were performed providing valuable insights into the major requirement for neurotensin receptor recognition and activation. The data led us to highly potent NTR1 ligands and the generation of a pharmacophore model that will be helpful for the discovery of therapeutically relevant non-peptidic NTR1 agonists. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.110

文献信息

• Peptide backbone modifications on the C-terminal hexapeptide of neurotensin
  作者：Jürgen Einsiedel、Harald Hübner、Maud Hervet、Steffen Härterich、Susanne Koschatzky、Peter Gmeiner

  DOI：10.1016/j.bmcl.2008.01.110

  日期：2008.3

  To compare backbone-induced susceptibilities with affinity changes that are caused by side-chain modifications in the respective positions, structure activity relationship studies on a series of NT(8-13) analogues were performed providing valuable insights into the major requirement for neurotensin receptor recognition and activation. The data led us to highly potent NTR1 ligands and the generation of a pharmacophore model that will be helpful for the discovery of therapeutically relevant non-peptidic NTR1 agonists. (C) 2008 Elsevier Ltd. All rights reserved.