(R)-1-Methoxycarbonylmethyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester | 444892-08-4

• 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: (R)-1-Methoxycarbonylmethyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
• CAS: 444892-08-4
• 化学式: C₁₇H₂₃NO₄
• 分子量: 305.374
• InChiKey: SIBMWLQKKATGCY-CQSZACIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.08
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  55.84
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (R)-1-Methoxycarbonylmethyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester 在 lithium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 生成 2-[(1R)-2-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid
  参考文献：
  名称：

  Synthesis and structure–activity relationships of novel dipeptides and reduced dipeptides as ligands for melanocortin subtype-4 receptor

  摘要：

  A series of benzylic piperazines (e.g., 4 and 5) attached to an 'address element', the dipeptide H-D-TiC-D-p-Cl-Phe-OH, 3 has been identified as ligands for the melanocortin subtype-4 receptor (MC4R). We describe herein the structure-activity relationship (SAR) studies on the N-terminal residue of the 'address element'. Several novel dipeptides and reduced dipeptides with high MC4R binding affinities and selectivity emerged from this SAR study. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.103
• 作为产物：
  描述：

  1,2,3,4-四氢异喹啉-1-乙酸 在 盐酸 作用下， 以 四氢呋喃 为溶剂， 生成 (R)-1-Methoxycarbonylmethyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Synthesis and structure–activity relationships of novel dipeptides and reduced dipeptides as ligands for melanocortin subtype-4 receptor

  摘要：

  A series of benzylic piperazines (e.g., 4 and 5) attached to an 'address element', the dipeptide H-D-TiC-D-p-Cl-Phe-OH, 3 has been identified as ligands for the melanocortin subtype-4 receptor (MC4R). We describe herein the structure-activity relationship (SAR) studies on the N-terminal residue of the 'address element'. Several novel dipeptides and reduced dipeptides with high MC4R binding affinities and selectivity emerged from this SAR study. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.103