[(1R)-6-benzylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine | 1235514-03-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: [(1R)-6-benzylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
• CAS: 1235514-03-0
• 化学式: C₁₈H₂₁NO₂S
• 分子量: 315.436
• InChiKey: XCWIADZUHWFIDZ-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  68.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 作用下， 生成 [(1R)-6-benzylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
  参考文献：
  名称：

  Highly potent, non-basic 5-HT6 ligands. Site mutagenesis evidence for a second binding mode at 5-HT6 for antagonism

  摘要：

  A series of 5-HT6 ligands derived from (R)-1-(amino) methyl-6-(phenyl) sulfonyltetralin was prepared that yielded several non-basic analogs having sub-nanomolar affinity. Ligand structure-activity relationships, receptor point mutation studies, and molecular modeling of these novel ligands all combined to reveal a new alternative binding mode to 5-HT6 for antagonism. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2010.03.110

文献信息

• Highly potent, non-basic 5-HT6 ligands. Site mutagenesis evidence for a second binding mode at 5-HT6 for antagonism
  作者：Ralph N. Harris、Russel S. Stabler、David B. Repke、James M. Kress、Keith A. Walker、Renee S. Martin、Julie M. Brothers、Mariola Ilnicka、Simon W. Lee、Tara Mirzadegan

  DOI：10.1016/j.bmcl.2010.03.110

  日期：2010.6

  A series of 5-HT6 ligands derived from (R)-1-(amino) methyl-6-(phenyl) sulfonyltetralin was prepared that yielded several non-basic analogs having sub-nanomolar affinity. Ligand structure-activity relationships, receptor point mutation studies, and molecular modeling of these novel ligands all combined to reveal a new alternative binding mode to 5-HT6 for antagonism. (C) 2010 Published by Elsevier Ltd.