(E)-N'-(4-(dimethylamino)benzylidene)-2-methylbenzohydrazide

• 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: (E)-N'-(4-(dimethylamino)benzylidene)-2-methylbenzohydrazide
• 英文别名: N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-methylbenzohydrazide；N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylbenzamide
• 化学式: C₁₇H₁₉N₃O
• 分子量: 281.357
• InChiKey: MHIJXEIWFUZDBF-LDADJPATSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  44.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  邻甲基苯甲酸甲酯 在 一水合肼 、 三氟乙酸 作用下， 以 甲醇 、 乙醇 为溶剂， 生成 (E)-N'-(4-(dimethylamino)benzylidene)-2-methylbenzohydrazide
  参考文献：
  名称：

  Modulation of estrogen-related receptors subtype selectivity: Conversion of an ERRβ/γ selective agonist to ERRα/β/γ pan agonists

  摘要：

  Estrogen Related Receptors (ERRs) are key regulators of energy homeostasis and play important role in the etiology of metabolic disorders, skeletal muscle related disorders, and neurodegenerative diseases. Among the three ERR isoforms, ERR alpha emerged as a potential drug target for metabolic and neurodegenerative diseases. Although ERR beta/gamma selective agonist chemical tools have been identified, there are no chemical tools that effectively target ERR alpha agonism. We successfully engineered high affinity ERR alpha agonism into a chemical scaffold that displays selective ERR beta/gamma agonist activity (GSK4716), providing novel ERR alpha/beta/gamma pan agonists that can be used as tools to probe the physiological roles of these nuclear receptors. We identified the structural requirements to enhance selectivity toward ERR alpha. Molecular modeling shows that our novel modulators have favorable binding modes in the LBP of ERR alpha and can induce conformational changes where Phe328 that originally occupies the pocket is dislocated to accommodate the ligands in a rather small cavity. The best agonists up-regulated the expression of target genes PGC-1 alpha and PGC-1 beta, which are necessary to achieve maximal mitochondrial biogenesis. Moreover, they increased the mRNA levels of PDK4, which play an important role in energy homeostasis.

  DOI：

  10.1016/j.bioorg.2020.104079

文献信息

• [EN] ANTI-FUNGALS TARGETING THE SYNTHESIS OF FUNGAL SHINGOLIPIDS<br/>[FR] ANTI-FONGIQUES CIBLANT LA SYNTHÈSE DE SHINGOLIPIDES FONGIQUES
  申请人：UNIV NEW YORK STATE RES FOUND

  公开号：WO2016094307A1

  公开（公告）日：2016-06-16

  The present invention provides a compound having the structure: (I).

  本发明提供一种化合物，其结构式为：(I)。
• Persistent photoconductive coating composition
  申请人：Polychrome Corporation

  公开号：EP0385376A2

  公开（公告）日：1990-09-05

  A persistent photoconductive coating composition contains a persistent photoconductor, photoinitiator and an acetate or phenolic hydroxyl-containing resin dispersed in an inert coherent matrix.

  一种持久性光电导涂层组合物包含一种持久性光电导体、光引发剂和一种分散在惰性相干基质中的醋酸或含酚羟基树脂。
• ANTI-FUNGALS TARGETING THE SYNTHESIS OF FUNGAL SHINGOLIPIDS
  申请人：Del Poeta Maurizio

  公开号：US20180141897A1

  公开（公告）日：2018-05-24

  The present invention provides a compound having the structure:
• US4431722A
  申请人：——

  公开号：US4431722A

  公开（公告）日：1984-02-14
• US4960663A
  申请人：——

  公开号：US4960663A

  公开（公告）日：1990-10-02