Z-Asp(β-OBu^t)-PEA | 145730-87-6

• 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: Z-Asp(β-OBu^t)-PEA
• 英文别名: Z-Asp(OtBu)-NH-CH2-CH2-C6H5；Z-Asp(OBu^t)-PEA；Cbz-Asp(t-Bu)-CONH-CH2CH2Ph；tert-butyl (3S)-4-oxo-4-(2-phenylethylamino)-3-(phenylmethoxycarbonylamino)butanoate
• CAS: 145730-87-6
• 化学式: C₂₄H₃₀N₂O₅
• 分子量: 426.513
• InChiKey: LMGFNIIMTFQNCY-FQEVSTJZSA-N

物化性质

• 沸点：
  631.7±55.0 °C(Predicted)
• 密度：
  1.152±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  31
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 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：

  Z-Asp(β-OBu^t)-PEA 在 palladium on activated charcoal 盐酸 、 N-羟基-5-降冰片烯-2,3-二甲酰亚胺 、 氢气 、 N,N'-二环己基碳二亚胺 作用下， 以 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成 H-D-Trp-Nle-Asp-PEA*HCl
  参考文献：
  名称：

  Synthesis and biological activity of CCK peptides with antagonist activity for CCK-A-receptor

  摘要：

  The synthesis of a series of cholecystokinin analogues derived from the well-known antagonist Ge 410 (Suc-Tyr(SO3)-Met-Gly-Trp-Met-Asp-beta-phenethylamide) is reported. Replacements of L-Trp by D-Trp, Asp by Glu and Met by Nle were carried out and the resulting changes in biological activities investigated. All compounds synthesized were tested for their ability to inhibit CCK-induced contraction on isolated guinea pig ileum. SAR studies for these compounds are discussed.

  DOI：

  10.1016/0223-5234(92)90028-y
• 作为产物：
  描述：

  N-苄氧羰基-L-天门冬氨酸 4-叔丁酯 在 N-甲基吗啉 作用下， 以 四氢呋喃 为溶剂， 反应 4.08h， 生成 Z-Asp(β-OBu^t)-PEA
  参考文献：
  名称：

  Synthesis and biological activity of CCK peptides with antagonist activity for CCK-A-receptor

  摘要：

  The synthesis of a series of cholecystokinin analogues derived from the well-known antagonist Ge 410 (Suc-Tyr(SO3)-Met-Gly-Trp-Met-Asp-beta-phenethylamide) is reported. Replacements of L-Trp by D-Trp, Asp by Glu and Met by Nle were carried out and the resulting changes in biological activities investigated. All compounds synthesized were tested for their ability to inhibit CCK-induced contraction on isolated guinea pig ileum. SAR studies for these compounds are discussed.

  DOI：

  10.1016/0223-5234(92)90028-y

文献信息

• Tripeptide &agr;-ketoamides
  申请人：Georgia Tech Research Corporation

  公开号：US06235929B1

  公开（公告）日：2001-05-22

  A novel class of tripeptide &agr;-ketoamides useful for selectively inhibiting serine proteases, selectively inhibiting cysteine proteases, generally inhibiting all serine proteases, and generally inhibiting all cysteine proteases, having the formula M1—AA—AA—AA—CO—NR3R4.

  一种新型三肽α-酮酰胺类化合物，适用于选择性抑制丝氨酸蛋白酶、选择性抑制半胱氨酸蛋白酶、普遍抑制所有丝氨酸蛋白酶和普遍抑制所有半胱氨酸蛋白酶，化学式为M1-AA-AA-AA-CO-NR3R4。
• Boomgaarden; Heinrich; Henklein, Pharmazie, 1992, vol. 47, # 9, p. 710 - 711
  作者：Boomgaarden、Heinrich、Henklein

  DOI：——

  日期：——
• Henklein; Boomgaarden; Penke, Pharmazie, 1989, vol. 44, # 1, p. 61 - 61
  作者：Henklein、Boomgaarden、Penke、Morgenstern、Ott

  DOI：——

  日期：——
• HENKLEIN, PETER;GEORGI, MONIKA;NIEBER, KAREN;OEHME, PETER;RAKOWSKA, ANGEL+
  作者：HENKLEIN, PETER、GEORGI, MONIKA、NIEBER, KAREN、OEHME, PETER、RAKOWSKA, ANGEL+

  DOI：——

  日期：——