3-(5-methyl-1,3,4,5-tetrahydro-pyrido[4,3-b]indol-2-yl)-propan-1-ol | 69836-56-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3-(5-methyl-1,3,4,5-tetrahydro-pyrido[4,3-b]indol-2-yl)-propan-1-ol
• 英文别名: 3-(5-Methyl-1,3,4,5-tetrahydro-pyrido[4,3-b]indol-2-yl)-propan-1-ol；3-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)propan-1-ol
• CAS: 69836-56-2
• 化学式: C₁₅H₂₀N₂O
• 分子量: 244.337
• InChiKey: REXSIWOVNKPQKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  28.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,3,4,5-四氢-2H-吡啶并[4,3-b]吲哚-2-甲酸乙酯 在 氢氧化钾 、 sodium hydride 、 potassium carbonate 、 sodium iodide 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 40.25h， 生成 3-(5-methyl-1,3,4,5-tetrahydro-pyrido[4,3-b]indol-2-yl)-propan-1-ol
  参考文献：
  名称：

  γ-Carbolines: binding at 5-HT5A serotonin receptors

  摘要：

  Screening of various agents resulted in the identification of 5-methyl-1,2,3,4-tetrahydro-gamma-carboline (1; K-i = 5,300 nM) as a compound with modest affinity for mouse 5-HT5A receptors. Structure-affinity studies were conducted resulting in 5-methyl-2-[3-(4-fluorophenoxy)propyl]- 1,2,3,4-tetrahydro-gamma-carboline (17; K-i = 13 nM). Although 17 also binds at 5-HT2 receptors, it serves as a novel lead for the further development of 5-HT5A ligands. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00527-8

文献信息

• γ-Carbolines: binding at 5-HT5A serotonin receptors
  作者：Nantaka Khorana、Anil Purohit、Katherine Herrick-Davis、Milt Teitler、Richard A. Glennon

  DOI：10.1016/s0968-0896(02)00527-8

  日期：2003.3

  Screening of various agents resulted in the identification of 5-methyl-1,2,3,4-tetrahydro-gamma-carboline (1; K-i = 5,300 nM) as a compound with modest affinity for mouse 5-HT5A receptors. Structure-affinity studies were conducted resulting in 5-methyl-2-[3-(4-fluorophenoxy)propyl]- 1,2,3,4-tetrahydro-gamma-carboline (17; K-i = 13 nM). Although 17 also binds at 5-HT2 receptors, it serves as a novel lead for the further development of 5-HT5A ligands. (C) 2002 Elsevier Science Ltd. All rights reserved.