4-[(3,4-dichlorophenyl)amino]-3-(3-methylbenzyl)-4-oxobutanoic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[(3,4-dichlorophenyl)amino]-3-(3-methylbenzyl)-4-oxobutanoic acid
• 英文别名: 4-(3,4-dichloroanilino)-3-[(3-methylphenyl)methyl]-4-oxobutanoic acid
• 化学式: C₁₈H₁₇Cl₂NO₃
• 分子量: 366.244
• InChiKey: FQLFYVDQXMXCFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Sortilin-binding small molecules for increasing glucose uptake
  申请人：University of South Florida

  公开号：US10849896B2

  公开（公告）日：2020-12-01

  Various scaffolds of small molecules capable of binding to the active site of sortilin are identified by in silico methods. These scaffolds include norbornene anhydride amino acid adducts and 2-substituted 3-oxo-1,2,3,4-tetrahydro-2-quinoxalines. These sortilin ligands increase the uptake of glucose in 3T3L1 cells and can be employed in compositions to increase uptake of glucose for the treatment of diabetic patents.

  通过硅学方法确定了能够与索氏林活性位点结合的各种小分子支架。这些支架包括降冰片烯酐氨基酸加合物和 2-取代 3-氧代-1,2,3,4-四氢-2-喹喔啉。这些索氏林配体能增加 3T3L1 细胞对葡萄糖的吸收，可用于增加葡萄糖吸收的组合物，以治疗糖尿病。
• Use of a compound of formula 1 for making a pharmaceutical composition
  申请人：Biondi Miguel Ricardo

  公开号：US20070032474A1

  公开（公告）日：2007-02-08

  The invention relates to a compound of formula I or pharmaceutically acceptable salts thereof. The invention further relates to methods of use of this compound.
• Sortilin-Binding Small Molecules for Increasing Glucose Uptake
  申请人：University of South Florida

  公开号：US20160331746A1

  公开（公告）日：2016-11-17

  Various scaffolds of small molecules capable of binding to the active site of sortilin are identified by in silico methods. These scaffolds include norbornene anhydride amino acid adducts, phenyl-amide-acids of benzyl substituted glutaric acids, and 2-substituted 3-oxo-1,2,3,4-tetrahydro-2-quinoxalines. These sortilin ligands increase the uptake of glucose in 3T3L1 cells and can be employed in compositions to increase uptake of glucose for the treatment of diabetic patents.