4-(4-bromo-2-methylphenyl)-8-(butyl(ethyl)amino)-6-methyl-3,4-dihydropyrido[2,3-b]pyrazin-2(1H)-one | 1240063-43-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-(4-bromo-2-methylphenyl)-8-(butyl(ethyl)amino)-6-methyl-3,4-dihydropyrido[2,3-b]pyrazin-2(1H)-one
• 英文别名: 8-(butylethylamino)-4-(2-methyl-4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one；4-(4-Bromo-2-methylphenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
• CAS: 1240063-43-7
• 化学式: C₂₁H₂₇BrN₄O
• 分子量: 431.376
• InChiKey: SFDGNUDKIIUTOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  48.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  ethyl N-(4-bromo-2-methylphenyl)-N-(4-(butyl(ethyl)amino)-6-methyl-3-nitropyridin-2-yl)glycinate 在 盐酸 、 铁粉 作用下， 以 乙醇 、 水 为溶剂， 生成 4-(4-bromo-2-methylphenyl)-8-(butyl(ethyl)amino)-6-methyl-3,4-dihydropyrido[2,3-b]pyrazin-2(1H)-one
  参考文献：
  名称：

  Synthesis, binding affinity, radiolabeling, and microPET evaluation of 4-(2-substituted-4-substituted)-8-(dialkylamino)-6-methyl-1-substituted-3,4-dihydropyrido[2,3-b]pyrazin-2(1H)-ones as ligands for brain corticotropin-releasing factor type-1 (CRF1) receptors

  摘要：

  Compounds 1-14 were synthesized in a search for high-affinity CRF1 receptor ligands that could be radiolabeled with C-11 or F-18 for use as positron emission tomography (PET) radiotracers. Derivatives of 2 were developed which contained amide N-fluoroalkyl substituents. Compounds [F-18]24 and [F-18]25 were found to have appropriate lipophilicities of logP(7.4) = 2.2 but microPET imaging with [F-18]25 demonstrated limited brain uptake. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.10.010

文献信息

• [EN] COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT<br/>[FR] COMPOSÉS, COMPOSITIONS, PROCÉDÉS DE SYNTHÈSE ET PROCÉDÉS DE TRAITEMENT
  申请人：UNIV EMORY

  公开号：WO2010096426A8

  公开（公告）日：2011-12-22
• COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT
  申请人：Stehouwer Jeff

  公开号：US20110305636A1

  公开（公告）日：2011-12-15

  Briefly described, embodiments of this disclosure include compounds as described herein, labeled compounds as described herein, pharmaceutical composition including compounds described herein, methods of imaging, method of forming a compound as described herein, and the like. In particular, embodiments of the disclosure include a series of triamino-pyridine derivatives and labeled triamino-pyridine derivatives, methods of synthesizing these compounds, intermediate compounds, methods of treatment using these compounds, methods of imaging, diagnosing, localizing, monitoring, and/or assessing a condition (e.g., corticotropin releasing factor type-1 (CRF1)) and/or related biological events, using triamino-pyridine derivatives, and the like. In addition, the present disclosure includes compositions (e.g., labeled triamino-pyridine derivatives that are ligands for the CRF1 receptor) used in and methods relating to non-invasive imaging (e.g., positron emission tomography (PET) imaging or SPECT imaging).
• US8551996B2
  申请人：——

  公开号：US8551996B2

  公开（公告）日：2013-10-08