1-[2-(1H-indol-3-yl)ethyl]-4-acetyl-3-hydroxy-5-(4-ethylphenyl)-1H-pyrrole-2(5H)-one | 697238-35-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: 1-[2-(1H-indol-3-yl)ethyl]-4-acetyl-3-hydroxy-5-(4-ethylphenyl)-1H-pyrrole-2(5H)-one
• 英文别名: BAS8770938；4-acetyl-5-(4-ethylphenyl)-3-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one；3-acetyl-2-(4-ethylphenyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-5-one
• CAS: 697238-35-0
• 化学式: C₂₄H₂₄N₂O₃
• 分子量: 388.466
• InChiKey: QYNVFMBRBZMBCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  73.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  色胺 、 乙酰丙酮酸甲酯 、 4-乙基苯甲醛 以 1,4-二氧六环 为溶剂， 反应 24.0h， 以64.4%的产率得到1-[2-(1H-indol-3-yl)ethyl]-4-acetyl-3-hydroxy-5-(4-ethylphenyl)-1H-pyrrole-2(5H)-one
  参考文献：
  名称：

  Synthesis of 1-[2-(1H-Indol-3-yl)ethyl]-4-acetyl-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-ones

  摘要：

  1-[2-(1H-indol-3-yl)ethyl]-4-acetyl-3-hydroxy-5-phenyl-1H-pyrrole-2(5H)-ones were synthesized by the short heating of a mixture of tryptamine, aromatic aldehyde, and methyl acetylpyruvate followed by stirring at room temperature for one day.

  DOI：

  10.1134/s1070363218060373

文献信息

• NMDA RECEPTOR MODULATORS AND USES RELATED THERETO
  申请人：EMORY UNIVERSITY

  公开号：US20150196540A1

  公开（公告）日：2015-07-16

  This disclosure relates to NMDA modulators and used related thereto such as for treatment of central nervous system disorders. In certain embodiments, compounds disclosed herein are NR2C subunit-selective NMDA potentiators. In certain embodiments, the disclosure contemplates compounds and pharmaceutical compositions. In certain embodiments, the disclosure contemplates compounds disclosed herein as prodrugs, optionally substituted with one or more substituents, derivatives, or salts thereof. In certain embodiments, the disclosure relates to methods of treating or preventing nervous system disorders comprising administering an effective amount of a composition comprising compound disclosed herein to a subject in need thereof.

  本公开涉及NMDA调节剂及其相关用途，例如用于治疗中枢神经系统疾病。在某些实施例中，本文所披露的化合物是NR2C亚单位选择性NMDA增强剂。在某些实施例中，本公开考虑化合物和制药组合物。在某些实施例中，本公开考虑化合物作为前药，可选择地用一个或多个取代基，衍生物或其盐替代。在某些实施例中，本公开涉及治疗或预防神经系统疾病的方法，包括向需要治疗的受试者施用含有本文所披露的化合物的有效量的组合物。
• US9737522B2
  申请人：——

  公开号：US9737522B2

  公开（公告）日：2017-08-22
• Synthesis of 1-[2-(1H-Indol-3-yl)ethyl]-4-acetyl-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-ones
  作者：O. E. Nasakin、M. I. Kazantseva、L. I. Varkentin、V. L. Gein

  DOI：10.1134/s1070363218060373

  日期：2018.6

  1-[2-(1H-indol-3-yl)ethyl]-4-acetyl-3-hydroxy-5-phenyl-1H-pyrrole-2(5H)-ones were synthesized by the short heating of a mixture of tryptamine, aromatic aldehyde, and methyl acetylpyruvate followed by stirring at room temperature for one day.