3-(4-hydroxyphenyl)-1-(pyridin-4-yl)prop-2-en-1-one | 92163-46-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 3-(4-hydroxyphenyl)-1-(pyridin-4-yl)prop-2-en-1-one
• 英文别名: 3-<4-Hydroxy-phenyl>-1--propenon；3-(4-hydroxy-phenyl)-1-pyridin-4-yl-propenone；3-(4-Hydroxyphenyl)-1-(4-pyridinyl)-2-propen-1-one；3-(4-hydroxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
• CAS: 92163-46-7
• 化学式: C₁₄H₁₁NO₂
• 分子量: 225.247
• InChiKey: NTBHFVAUTUKRMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-(四氢-吡喃-2-基氧基)-苯甲醛 在 对甲苯磺酸 、 sodium hydroxide 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 2.0h， 生成 3-(4-hydroxyphenyl)-1-(pyridin-4-yl)prop-2-en-1-one
  参考文献：
  名称：

  Synthesis and QSAR analysis of chalcone derivatives as nitric oxide inhibitory agent

  摘要：

  In this study, thirty-eight chalcone analogs were synthesized and evaluated for nitric oxide (NO) inhibition activity on RAW 264.7 cells. Among these compounds, chalcones bearing furanyl group showed remarkable anti-inflammatory activity. Both compounds 2d and 2j were identified as the most potent NO inhibitor on IFN-gamma/LPS-activated RAW 264.7 cells. In order to examine the structure-activity relationship, a 3D QSAR analysis was carried out by comparative molecular field analysis (CoMFA) method on the selected chalcones. Partial least square analysis produced a statistically coherent model with good predictive value, r (2) = 0.989 and a good cross validated value, q (2) = 0.583.

  DOI：

  10.1007/s00044-011-9706-1

文献信息

• Stilbenes and chalcones for the prevention and treatment of cardiovascular diseases
  申请人：Wong C.W. Norman

  公开号：US20060205792A1

  公开（公告）日：2006-09-14

  The present disclosure provides non-naturally occurring polyphenol compounds that upregulate the expression of Apolipoprotein A-I (ApoA-I). The disclosed compositions and methods can be used for treatment and prevention of cardiovascular disease and related disease states, including cholesterol or lipid related disorders, such as, e.g., atherosclerosis.

  本公开提供了一些非天然的多酚化合物，这些化合物可以上调载脂蛋白A-I（ApoA-I）的表达。所述的组合物和方法可用于治疗和预防心血管疾病及相关疾病状态，包括胆固醇或脂质相关紊乱，例如动脉粥样硬化。
• Stilbenes and Chalcones for the Prevention and Treatment of Cardiovascular Diseases
  申请人：Wong Norman C.W.

  公开号：US20110082176A1

  公开（公告）日：2011-04-07

  The present disclosure provides non-naturally occurring polyphenol compounds that upregulate the expression of Apolipoprotein A-I (ApoA-I). The disclosed compositions and methods can be used for treatment and prevention of cardiovascular disease and related disease states, including cholesterol or lipid related disorders, such as, e.g., atherosclerosis.

  本公开提供非自然产生的多酚化合物，可以上调载脂蛋白A-I（ApoA-I）的表达。所披露的组合物和方法可用于治疗和预防心血管疾病和相关疾病状态，包括胆固醇或脂质相关的疾病，例如动脉粥样硬化。
• US7846915B2
  申请人：——

  公开号：US7846915B2

  公开（公告）日：2010-12-07
• US8242144B2
  申请人：——

  公开号：US8242144B2

  公开（公告）日：2012-08-14
• [EN] STILBENES AND CHALCONES FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES<br/>[FR] STILBENES ET CHALCONES UTILISES POUR LA PREVENTION ET LE TRAITEMENT DE MALADIES CARDIO-VASCULAIRES
  申请人：RESVERLOGIX CORP

  公开号：WO2006045010A2

  公开（公告）日：2006-04-27

  [EN] The present disclosure provides non-naturally occurring polyphenol compounds that upregulate the expression of Apolipoprotein A-I (ApoA-I). The disclosed compositions and methods can be used for treatment and prevention of cardiovascular disease and related disease states, including cholesterol or lipid related disorders, such as, e.g., atherosclerosis.
  [FR] La présente invention concerne des composés de polyphénol n'existant pas à l'état naturel qui régulent à la hausse l'expression de l'apolipoprotéine A-I (ApoA-I). Les compostions et méthodes de l'invention conviennent pour le traitement et la prévention de maladies cardio-vasculaires et manifestations pathologiques connexes dont les troubles dus à un excès de cholestérol ou de lipides tels que l'athérosclérose.