Boc-L-Tic-CH3 | 357339-24-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: Boc-L-Tic-CH3
• 英文别名: tert-butyl (3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
• CAS: 357339-24-3
• 化学式: C₁₅H₂₁NO₂
• 分子量: 247.337
• InChiKey: XANFOOZHCJJCOU-LLVKDONJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Boc-L-Tic-CH3 在 盐酸 、 溶剂黄146 作用下， 生成 3-(R)-甲基-1,2,3,4-四氢异喹啉
  参考文献：
  名称：

  Novel C-Terminus Modifications of the Dmt-Tic Motif:  A New Class of Dipeptide Analogues Showing Altered Pharmacological Profiles Toward the Opioid Receptors

  摘要：

  The design, synthesis and pharmacological evaluation of a novel class of Dmt-Tic dipeptide analogues are described. These resulting analogues bearing different C-terminal functionalities were found to bind to the human delta receptor with high affinity. One specific class of dipeptides bearing urea/thiourea functionalities showed partial to full activation of the delta receptor. Several dipeptides also showed good binding affinities with full activation of the human kappa receptor, a novel property for those ligands.

  DOI：

  10.1021/jm015532k
• 作为产物：
  描述：

  N-叔丁氧羰基-(S)-1,2,3,4-四氢异喹啉-3-羧酸 在 N-甲基吗啉 、 sodium tetrahydroborate 、 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 二氯甲烷 、 水 为溶剂， 反应 25.41h， 生成 Boc-L-Tic-CH3
  参考文献：
  名称：

  Novel C-Terminus Modifications of the Dmt-Tic Motif:  A New Class of Dipeptide Analogues Showing Altered Pharmacological Profiles Toward the Opioid Receptors

  摘要：

  The design, synthesis and pharmacological evaluation of a novel class of Dmt-Tic dipeptide analogues are described. These resulting analogues bearing different C-terminal functionalities were found to bind to the human delta receptor with high affinity. One specific class of dipeptides bearing urea/thiourea functionalities showed partial to full activation of the delta receptor. Several dipeptides also showed good binding affinities with full activation of the human kappa receptor, a novel property for those ligands.

  DOI：

  10.1021/jm015532k

文献信息

• Novel C-Terminus Modifications of the Dmt-Tic Motif:  A New Class of Dipeptide Analogues Showing Altered Pharmacological Profiles Toward the Opioid Receptors
  作者：Daniel Pagé、Angela Naismith、Ralf Schmidt、Martin Coupal、Maryse Labarre、Mylène Gosselin、Daniel Bellemare、Kemal Payza、William Brown

  DOI：10.1021/jm015532k

  日期：2001.7.1

  The design, synthesis and pharmacological evaluation of a novel class of Dmt-Tic dipeptide analogues are described. These resulting analogues bearing different C-terminal functionalities were found to bind to the human delta receptor with high affinity. One specific class of dipeptides bearing urea/thiourea functionalities showed partial to full activation of the delta receptor. Several dipeptides also showed good binding affinities with full activation of the human kappa receptor, a novel property for those ligands.