2-(tert-butoxycarbonyl-aminomethyl)-5-methylpyrimidine | 930272-56-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-(tert-butoxycarbonyl-aminomethyl)-5-methylpyrimidine
• 英文别名: tert-butyl N-[(5-methylpyrimidin-2-yl)methyl]carbamate；5-methyl-2-(N-tert-butoxycarbonyl-amino)methyl-pyrimidine；tert-Butyl ((5-methylpyrimidin-2-yl)methyl)carbamate
• CAS: 930272-56-3
• 化学式: C₁₁H₁₇N₃O₂
• 分子量: 223.275
• InChiKey: YYMSSWZSZVFALE-UHFFFAOYSA-N

物化性质

• 沸点：
  335.7±25.0 °C(Predicted)
• 密度：
  1.097±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  64.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(tert-butoxycarbonyl-aminomethyl)-5-methylpyrimidine 在 盐酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成 5-methylpyrimidine-2-methylamine dihydrochloride
  参考文献：
  名称：

  Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds

  摘要：

  描述了结构式(I)的氘代吡啶和嘧啶-2-基甲胺化合物，它们是5-羟色胺受体的激动剂。还描述了包括氘代吡啶和嘧啶-2-基甲胺化合物的药物组合物，以及其使用方法。

  公开号：

  US20180079742A1
• 作为产物：
  描述：

  5-甲基-2-嘧啶甲腈(9ci) 在 palladium on activated charcoal 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 20.0~25.0 ℃ 、303.99 kPa 条件下， 反应 1.0h， 生成 2-(tert-butoxycarbonyl-aminomethyl)-5-methylpyrimidine
  参考文献：
  名称：

  Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds

  摘要：

  描述了结构式(I)的氘代吡啶和嘧啶-2-基甲胺化合物，它们是5-羟色胺受体的激动剂。还描述了包括氘代吡啶和嘧啶-2-基甲胺化合物的药物组合物，以及其使用方法。

  公开号：

  US20180079742A1

文献信息

• Deuterium-substituted pyridin- and pyrimidin-2-yl-methylamine compounds
  申请人：Auspex Pharmaceuticals, Inc.

  公开号：US10626105B2

  公开（公告）日：2020-04-21

  Described are deuterium-substituted pyridin- and pyrimidin-2-yl-methylamine compounds of structural Formula (I), which are agonists of 5-hydroxytryptamine receptors. Also described are pharmaceutical compositions comprising the deuterium-substituted pyridin- and pyrimidin-2-yl-methylamine compounds, and methods of use thereof.

  描述了结构式（I）的氘代吡啶-和嘧啶-2-基-甲胺化合物，它们是 5-羟色胺受体的激动剂。还描述了包含氘代吡啶和嘧啶-2-基甲胺化合物的药物组合物及其使用方法。
• High-Efficacy 5-HT_1A Agonists for Antidepressant Treatment:  A Renewed Opportunity
  作者：Jean Louis Maurel、Jean-Marie Autin、Philippe Funes、Adrian Newman-Tancredi、Francis Colpaert、Bernard Vacher

  DOI：10.1021/jm070714l

  日期：2007.10.1

  We report the discovery of novel 5-HT1A receptor agonists and describe the process that led to the antidepressant candidate 9 (F 15599). 9 has nanomolar affinity for 5-HT1A binding sites and is over 1000-fold selective with respect to the other 5-HT1 receptor subtypes, 5-HT2-7 receptor families, and also numerous GPCRs, transporters, ion channels, and enzymes. In a cellular model of signal transduction, 9 activates h5-HT1A receptors with an efficacy superior to that of the prototypical 5-HT1A agonist (+/-)-8-OH-DPAT and comparators undergoing clinical trials. After acute oral administration in rats, 9 totally reverses immobility in the forced swimming test and produces behaviors characteristic of 5-HT1A receptor activation. However, these effects occurred at widely separated doses, suggesting that 9 discriminates between distinct populations of 5-HT1A receptors. While the clinical relevance of these observations is still unknown, this opens new perspectives for the treatment of depressive disorders.
• WO2007/39499
  申请人：——

  公开号：——

  公开（公告）日：——
• Method for Preparing (3-Chloro-4-Fluorophenyl)-(4-Fluoro-4--Piperidin-1-Yl)-Methanone and Novel Intermediate Pyrimidine Derivatives
  申请人：Vacher Bernard

  公开号：US20090118507A1

  公开（公告）日：2009-05-07

  The present invention concerns the method for preparing (3-chloro-4-fluorophenyl)-(4-fluoro-4-[(5-methyl-pyrimidin-2-ylmethyl)-amino]-methyl}-piperidin-1-yl)-methanone of formula (II) by condensation between 5-methyl-pyrimidin-2-methylamine of formula (I) and cyanohydrin of formula (III).
• [EN] DEUTERIUM-SUBSTITUTED PYRIDIN- AND PYRIMIDIN-2-YL-METHYLAMINE COMPOUNDS<br/>[FR] COMPOSÉS DE PYRIDIN- ET PYRIMIDIN-2-YL-MÉTHYLAMINE SUBSTITUÉS PAR DU DEUTÉRIUM
  申请人：AUSPEX PHARMACEUTICALS INC

  公开号：WO2018057576A1

  公开（公告）日：2018-03-29

  Described are deuterium-substituted pyridin- and pyrimidin-2-yl-methylamine compounds of structural Formula I, which are agonists of 5-hydroxytryptamine receptors. Also described are pharmaceutical compositions comprising the deuterium-substituted pyridin- and pyrimidin-2-yl-methyiamine compounds, and methods of use thereof. Formula (I) In formula (I) X is N or C-R21; R1-R21 a re- independently, hydrogen or deuterium; at least one of R1-R21is deuterium; and at least one of R1-R21 has deuterium enrichment of at least about 1%.