2-[[2-[(8,8-Dimethyl-2-oxo-4-phenyl-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]amino]benzamide

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 新黄酮类化合物
• 英文名称: 2-[[2-[(8,8-Dimethyl-2-oxo-4-phenyl-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]amino]benzamide
• 化学式: C₂₉H₂₆N₂O₆
• 分子量: 498.5
• InChiKey: SVELPNHVEDZZRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  117
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• 2-[2-({12,12-DIMETHYL-4-OXO-6-PHENYL-3,11-DIOXATRICYCLO[8.4.0.0,2,7]TETRADECA-1,5,7,9-TETRAEN-8-YL}OXY)ACETAMIDO]BENZAMIDE AND DERIVATIVES AS INHIBITOR OF CLOCK:BMAL1 INTERACTION FOR THE TREATMENT OF CIRCADIAN RHYTHM DISEASES AND DISORDERS
  申请人：KOC Universitesi

  公开号：EP4076435A1

  公开（公告）日：2022-10-26
• [EN] 2-[2-({12,12-DIMETHYL-4-OXO-6-PHENYL-3,11-DIOXATRICYCLO[8.4.0.0,2,7]TETRADECA-1,5,7,9-TETRAEN-8-YL}OXY)ACETAMIDO]BENZAMIDE AND DERIVATIVES AS INHIBITOR OF CLOCK:BMAL1 INTERACTION FOR THE TREATMENT OF CIRCADIAN RHYTHM DISEASES AND DISORDERS<br/>[FR] 2-[2-({12,12-DIMÉTHYL-4-OXO-6-PHÉNYL-3,11-DIOXATRICYCLO[8.4.0.0,2,7]TÉTRADÉCA-1,5,7,9-TÉTRAÉN-8-YL}OXY)ACÉTAMIDO]BENZAMIDE ET DÉRIVÉS COMME INHIBITEUR DE L'INTERACTION CLOCK:BMAL1 POUR LE TRAITEMENT DES MALADIES ET DES TROUBLES DU RYTHME CIRCADIEN
  申请人：UNIV KOC

  公开号：WO2021126096A1

  公开（公告）日：2021-06-24

  The present invention relates to 2-[2-(12,12-dimethyl-4-oxo-6-phenyl-3,11-dioxatricyclo[8.4.0.0,2,7]tetradeca-1,5,7,9-tetraen-8-yl}oxy)acetamido]benzamide compound and related derivatives. The compound of the invention is a CLOCK-binding small molecule and also an inhibitor of CLOCK:BMAL1 interaction, and is therefore useful, as pharmaceutical agent, especially in the treatment and/or prevention of disorders associated with the circadian rhythm.