3-dibutylamino-1-(4-hexylphenyl)propan-1-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-dibutylamino-1-(4-hexylphenyl)propan-1-one
• 英文别名: 3-(Dibutylamino)-1-(4-hexylphenyl)propan-1-one
• 化学式: C₂₃H₃₉NO
• 分子量: 345.569
• InChiKey: UMFRWWULZNWTFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  25
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  己基苯 、 二正丁胺 、 丙烯酰氯 在 三氯化铝 作用下， 以 二氯甲烷 、 四氢呋喃 为溶剂， 反应 2.0h， 以90%的产率得到3-dibutylamino-1-(4-hexylphenyl)propan-1-one
  参考文献：
  名称：

  Inhibitors of the Interaction of a Thyroid Hormone Receptor and Coactivators:  Preliminary Structure−Activity Relationships

  摘要：

  The modulation of gene regulation by blocking the interaction between the thyroid receptor (TR) and obligate coregulators has been reported recently with the discovery of the lead compound 3-(dimethylamino)-1-(4-hexylphenyl)propan-1-one). Herein we report studies aimed at optimization of this initial hit to determine the basic parameters of the structure -activity relationships and clarify the mechanism of action. These studies provided new insights, showing that activity and TR beta isoform selectivity is highly correlated with the structural composition of these covalent inhibitors.

  DOI：

  10.1021/jm070556y

文献信息

• Vitamin D receptor-coregulator inhibitors
  申请人：UWM Research Foundation, Inc.

  公开号：US10093653B2

  公开（公告）日：2018-10-09

  Described herein are compounds, pharmaceutical compositions and methods for inhibiting the expression of a vitamin D receptor target gene, inhibiting interactions between the vitamin D receptor and at least one vitamin D receptor coactivator, for treating cancer in a subject, and for inhibiting angiogenesis in a subject.

  本文描述了用于抑制维生素 D 受体靶基因表达、抑制维生素 D 受体与至少一种维生素 D 受体辅激活剂之间相互作用、治疗受试者癌症以及抑制受试者血管生成的化合物、药物组合物和方法。
• VITAMIN D RECEPTOR-COREGULATOR INHIBITORS
  申请人：Arnold Alexander E.

  公开号：US20140194472A1

  公开（公告）日：2014-07-10

  Described herein are compounds, pharmaceutical compositions and methods for inhibiting the expression of a vitamin D receptor target gene, inhibiting interactions between the vitamin D receptor and at least one vitamin D receptor coactivator, for treating cancer in a subject, and for inhibiting angiogenesis in a subject.
• US9416104B2
  申请人：——

  公开号：US9416104B2

  公开（公告）日：2016-08-16
• [EN] USE OF SUBSTITUTED 5-(4-METHYL-6-PHENYL-4H-BENZO[F]IMIDAZO[1,5-A][1,4] DIAZEPIN-3-YL)-1,2,4-OXADIAZOLES IN THE TREATMENT OF INFLAMMATORY CONDITIONS<br/>[FR] UTILISATION DE 5-(4-MÉTHYL-6-PHÉNYL-4H-BENZO[F]IMIDAZO[1,5-A][1,4]DIAZÉPINE-3-YL)-1,2,4-OXADIAZOLES SUBSTITUÉS DANS LE TRAITEMENT D'ÉTATS INFLAMMATOIRES
  申请人：[en]UWM RESEARCH FOUNDATION, INC.

  公开号：WO2022260648A1

  公开（公告）日：2022-12-15

  Substituted 5-(4-methyl-6-phenyl-4H-benzo[f]imidazof[1,5-a][1,4]diazepin-3-y1)-1,2,4- oxadiazoie compounds are ligands for the κ opioid receptor and inhibit inducible nitric oxide synthase. The compounds have utility to inhibit NO production and treat associated inflammatory conditions.
• Inhibitors of the Interaction of a Thyroid Hormone Receptor and Coactivators:  Preliminary Structure−Activity Relationships
  作者：Leggy A. Arnold、Aaron Kosinski、Eva Estébanez-Perpiñá、R. Kiplin Guy

  DOI：10.1021/jm070556y

  日期：2007.11.1

  The modulation of gene regulation by blocking the interaction between the thyroid receptor (TR) and obligate coregulators has been reported recently with the discovery of the lead compound 3-(dimethylamino)-1-(4-hexylphenyl)propan-1-one). Herein we report studies aimed at optimization of this initial hit to determine the basic parameters of the structure -activity relationships and clarify the mechanism of action. These studies provided new insights, showing that activity and TR beta isoform selectivity is highly correlated with the structural composition of these covalent inhibitors.