5-benzyl-2-benzylmercapto-6-methyl-3H-pyrimidin-4-one

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5-benzyl-2-benzylmercapto-6-methyl-3H-pyrimidin-4-one
• 英文别名: 5-Benzyl-2-benzylmercapto-6-methyl-3H-pyrimidin-4-on；5-benzyl-2-benzylsulfanyl-6-methyl-1H-pyrimidin-4-one；5-benzyl-2-benzylsulfanyl-4-methyl-1H-pyrimidin-6-one
• 化学式: C₁₉H₁₈N₂OS
• mdl: MFCD02856517
• 分子量: 322.431
• InChiKey: LIYSCBNCRXLCEY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-benzyl-2-benzylmercapto-6-methyl-3H-pyrimidin-4-one 、 氢溴酸 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Wheeler; McFarland, American Chemical Journal, 1909, vol. 42, p. 114

  摘要：

  DOI：
• 作为产物：
  描述：

  氯化苄 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium ethanolate 作用下， 生成 5-benzyl-2-benzylmercapto-6-methyl-3H-pyrimidin-4-one
  参考文献：
  名称：

  Wheeler; McFarland, American Chemical Journal, 1909, vol. 42, p. 114

  摘要：

  DOI：

文献信息

• [EN] COMPOSITIONS AND METHODS FOR INHIBITING N-SMASE2<br/>[FR] COMPOSITIONS ET PROCÉDÉS D'INHIBITION DE LA N-SMASE2
  申请人：UNIV CALIFORNIA

  公开号：WO2019055832A1

  公开（公告）日：2019-03-21

  Provided herein are compounds of Formula (I) and (II) and their salts, and compositions comprising such compounds that are useful for useful for modulating neutral sphingomyelinase 2 (n-SMase2) in cells. Also disclosed herein are methods of using the disclosed compounds and compositions for inhibiting the spread of Tau seeds from donor cells to recipient cells. Moreover, disclosed herein are methods of using the disclosed compounds and compositions for treating or preventing a neurodegenerative disorder, such as a tauopathy, Alzheimer's disease (AD), Parkinson's disease (PD), Huntington's disease (HD), Lewy body dementia, frontotemporal dementia, and amyotrophic lateral sclerosis (ALS).

  本文提供了化合物I和II及其盐，以及包含这些化合物的组合物，用于调节细胞中的中性鞘磷脂酰胆碱酰肌醇酶2（n-SMase2）。本文还披露了使用上述化合物和组合物抑制Tau种子从供体细胞传播到受体细胞的方法。此外，本文还披露了使用上述化合物和组合物治疗或预防神经退行性疾病的方法，例如tau病理、阿尔茨海默病（AD）、帕金森病（PD）、亨廷顿病（HD）、Lewy体痴呆、额颞叶痴呆和肌萎缩侧索硬化症（ALS）。
• COMPOSITIONS AND METHODS FOR INHIBITING N-SMASE2
  申请人：BILOUSOVA Tina

  公开号：US20200270216A1

  公开（公告）日：2020-08-27

  Provided herein are compounds of Formula (I) and (II) and their salts, and compositions comprising such compounds that are useful for useful for modulating neutral sphingomyelinase 2 (n-SMase2) in cells. Also disclosed herein are methods of using the disclosed compounds and compositions for inhibiting the spread of Tau seeds from donor cells to recipient cells. Moreover, disclosed herein are methods of using the disclosed compounds and compositions for treating or preventing a neurodegenerative disorder, such as a tauopathy, Alzheimer's disease (AD), Parkinson's disease (PD), Huntington's disease (HD), Lewy body dementia, frontotemporal dementia, and amyotrophic lateral sclerosis (ALS).