N-Me-Val-N-Me-Tyr(3-tBu)-NH2 | 220808-88-8

• 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: N-Me-Val-N-Me-Tyr(3-tBu)-NH2
• 英文别名: (2S)-N-[(2S)-1-amino-3-(3-tert-butyl-4-hydroxyphenyl)-1-oxopropan-2-yl]-N,3-dimethyl-2-(methylamino)butanamide
• CAS: 220808-88-8
• 化学式: C₂₀H₃₃N₃O₃
• 分子量: 363.5
• InChiKey: LEBXUXNPURKUDZ-RDJZCZTQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  95.7
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-Me-Val-N-Me-Tyr(3-tBu)-NH2 、 BOC-L-苯丙氨酸 在 1-羟基苯并三唑 、 N,N'-二异丙基碳二亚胺 作用下， 生成
  参考文献：
  名称：

  Discovery of novel motilin antagonists: Conversion of tetrapeptide leads to orally available peptidomimetics

  摘要：

  We successfully discovered peptidomimetic motilin antagonists (17c and 17d) through the improvement of physicochemical properties of a tetrapeptide antagonist (2). Furthermore, with oral administration and based on motilin antagonistic activity, both compounds suppressed motilin-induced colonic and gastric motility in conscious dogs. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2009.05.059
• 作为产物：
  描述：

  Z-N-Me-Val-N-Me-Tyr(3-tBu)-NH2 在 10% palladium on carbon 、 氢气 作用下， 生成 N-Me-Val-N-Me-Tyr(3-tBu)-NH2
  参考文献：
  名称：

  Discovery of novel motilin antagonists: Conversion of tetrapeptide leads to orally available peptidomimetics

  摘要：

  We successfully discovered peptidomimetic motilin antagonists (17c and 17d) through the improvement of physicochemical properties of a tetrapeptide antagonist (2). Furthermore, with oral administration and based on motilin antagonistic activity, both compounds suppressed motilin-induced colonic and gastric motility in conscious dogs. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2009.05.059

文献信息

• Phenethylamine derivatives
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：US06255285B1

  公开（公告）日：2001-07-03

  The present invention has as its object providing phenethylamine derivatives that typically function as a motilin receptor antagonist and which are useful as medicines. The invention provides compounds represented by the general formula (1): (wherein A is typically an amino acid residue, R1 is typically R6—CO—, R2 is typically a hydrogen atom, R3 is typically —CO—R7, R4 is typically an alkyl group, R5 is typically a hydroxyl group, R6 is typically an alkyl group, and R7 is typically an amino group).

  本发明的目的是提供苯乙胺衍生物，它通常作为胃动素受体拮抗剂发挥作用，并可用作药物。该发明提供了由通式（1）表示的化合物：（其中A通常是氨基酸残基，R1通常为R6-CO-，R2通常为氢原子，R3通常为-CO-R7，R4通常为烷基，R5通常为羟基，R6通常为烷基，R7通常为氨基）。
• Substituted phenethylamine derivatives
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：US07553969B1

  公开（公告）日：2009-06-30

  Substituted phenethylamine compounds of Formula (1) that function as motilin receptor antagonists: Formula (1).

  公式（1）的取代苯乙胺化合物，其作为胃动素受体拮抗剂：公式（1）。