H-Dmt-Pro-Phe-Dmt-NH2 | 1311406-43-5

• 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: H-Dmt-Pro-Phe-Dmt-NH2
• 英文别名: H-Tyr(2,6-diMe)-Pro-Phe-Tyr(2,6-diMe)-NH2；(2S)-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide
• CAS: 1311406-43-5
• 化学式: C₃₆H₄₅N₅O₆
• 分子量: 643.783
• InChiKey: FSDAHJDHUQDCNF-YDPTYEFTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  47
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  188
• 氢给体数：
  6
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  在 苯甲醚 、 三氟乙酸 作用下， 生成 H-Dmt-Pro-Phe-Dmt-NH2
  参考文献：
  名称：

  Endomorphin analogues with balanced affinity for both μ- and δ-opioid receptors

  摘要：

  Analogues of endomorphin and tripeptides modified at positions 4 and 3, respectively, with various phenylalanine analogues were synthesized and their affinities for opioid receptors were evaluated. Most of the peptides exhibited potent mu-receptor affinity and selectivity, among them, compound 7 (Dmt-Pro-Tmp-Tmp-NH2) exhibited potent affinity for both mu- and delta-receptors (K-i mu = 0.47 nmol/L, K-i delta = 1.63 nmol/L). (C) 2011 Ting You Li. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2011.01.035

文献信息

• Endomorphin analogues with balanced affinity for both μ- and δ-opioid receptors
  作者：Liang Zhang、Lei Chang、Lei Lei Yu、Jin Chun Liu、Jia Jia Chen、Xiao Wen Li、Lawrence H. Lazarus、Ting You Li

  DOI：10.1016/j.cclet.2011.01.035

  日期：2011.8

  Analogues of endomorphin and tripeptides modified at positions 4 and 3, respectively, with various phenylalanine analogues were synthesized and their affinities for opioid receptors were evaluated. Most of the peptides exhibited potent mu-receptor affinity and selectivity, among them, compound 7 (Dmt-Pro-Tmp-Tmp-NH2) exhibited potent affinity for both mu- and delta-receptors (K-i mu = 0.47 nmol/L, K-i delta = 1.63 nmol/L). (C) 2011 Ting You Li. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.