2-[11C]methyl-8-methyl-5-(2-(6-methylpyridin-3-yl)ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole | 1227953-42-5

• 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: 2-[11C]methyl-8-methyl-5-(2-(6-methylpyridin-3-yl)ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
• 英文别名: [¹¹C]Dimebon；8-methyl-2-(111C)methyl-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• CAS: 1227953-42-5
• 化学式: C₂₁H₂₅N₃
• 分子量: 318.439
• InChiKey: JNODQFNWMXFMEV-KTXUZGJCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  21.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  [11C]methyl triflate 、 8-methyl-5-(2-(6-methylpyridin-3-yl)ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole 在 sodium hydride 作用下， 以 乙腈 为溶剂， 反应 0.08h， 生成 2-[11C]methyl-8-methyl-5-(2-(6-methylpyridin-3-yl)ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
  参考文献：
  名称：

  [11C]Dimebon, radiosynthesis and lipophilicity of a new potential PET agent for imaging of Alzheimer’s disease and Huntington’s disease

  摘要：

  [C-11] Dimebon (2-[C-11]methyl-8-methyl-5-(2-(6-methylpyridin-3-yl)ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole), a new potential PET agent for imaging of Alzheimer's disease and Huntington's disease, was prepared by N-[C-11] methylation of desmethyl-Domebon precursor with [C-11]CH3OTf and purified with a semi-preparative HPLC method in 30-40% decay corrected radiochemical yield and 222-296 GBq/mu mol specific activity at EOB. The measured lipophilicity coefficient (Log P) value of [C-11] Dimebon was 2.53. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.094

文献信息

• [11C]Dimebon, radiosynthesis and lipophilicity of a new potential PET agent for imaging of Alzheimer’s disease and Huntington’s disease
  作者：Mingzhang Gao、Min Wang、Gary D. Hutchins、Qi-Huang Zheng

  DOI：10.1016/j.bmcl.2010.02.094

  日期：2010.4

  [C-11] Dimebon (2-[C-11]methyl-8-methyl-5-(2-(6-methylpyridin-3-yl)ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole), a new potential PET agent for imaging of Alzheimer's disease and Huntington's disease, was prepared by N-[C-11] methylation of desmethyl-Domebon precursor with [C-11]CH3OTf and purified with a semi-preparative HPLC method in 30-40% decay corrected radiochemical yield and 222-296 GBq/mu mol specific activity at EOB. The measured lipophilicity coefficient (Log P) value of [C-11] Dimebon was 2.53. (C) 2010 Elsevier Ltd. All rights reserved.