4-hydroxybenzoic acid (3-methylbenzylidene)hydrazide

• 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-hydroxybenzoic acid (3-methylbenzylidene)hydrazide
• 英文别名: 4-hydroxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
• 化学式: C₁₅H₁₄N₂O₂
• 分子量: 254.288
• InChiKey: QQRCBMOTFMCLLU-MHWRWJLKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  61.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-羟基苯甲酰肼 、 3-甲基苯甲醛 以 乙醇 为溶剂， 以78 %的产率得到4-hydroxybenzoic acid (3-methylbenzylidene)hydrazide
  参考文献：
  名称：

  偏心晶体制胜策略：横向偶极矩分子

  摘要：

  通过 4-羟基苯甲酰肼与羰基化合物缩合获得的亚胺是非手性化合物的一个罕见例子，显示出在非中心和极性空间群中结晶的显着趋势，正如我们在之前对通过与脂肪酮缩合获得的亚胺的研究中强调的那样。在这里，我们对通过与芳香醛缩合获得的亚胺进行了广泛研究，并证明在一组具有代表性的 60 种晶体结构中，这类化合物中非中心相的总体发生率为 47%。这个数字明显高于剑桥结构数据库中偏心结构的总体频率 22%，并指出了一种成功的偏心晶体合成策略。在非中心亚胺的晶体结构中，通常存在复杂的氢键分子链，形成二维氢键网络，类似于文献中描述的其他类别的化合物，具有形成非中心晶体的倾向。在这类化合物中成功实现非中心和极性结构的另一个原因可能与强横向键偶极矩的存在有关。此功能允许对长分子轴进行极性堆积，同时保持键偶极矩反平行。

  DOI：

  10.1021/acs.cgd.3c00295

文献信息

• Ligands for estrogen related receptors and methods for synthesis of said ligands
  申请人：Forman Barry

  公开号：US20060189825A1

  公开（公告）日：2006-08-24

  Estrogen-Related Receptor (ERR) modulating compounds and methods for synthesis of said compounds are described.

  雌激素相关受体（ERR）调节化合物及其合成方法已被描述。
• METHOD OF EFFECTING DE-DIFFERENTIATION OF A CELL
  申请人：Agency for Science, Technology And Research

  公开号：EP2283118A1

  公开（公告）日：2011-02-16
• MODULATION OF ESTROGEN RECEPTOR-RELATED RECEPTOR GAMMA (ERR GAMMA) AND USES THEREFOR
  申请人：Salk Institute for Biological Studies

  公开号：US20150119315A1

  公开（公告）日：2015-04-30

  This application provides methods of increasing vascularization, muscle performance, muscle rehabilitation, and/or mitochondrial activity in subjects in need thereof, by administering a therapeutically effective amount of one or more agents that increases ERRγ activity to the subject. Such agents can include one or more ERRγ agonists. In some examples the method does not require that the subject exercise, and as such, the subject may be sedentary (such as bedridden or in a wheelchair).
• ERR ALPHA AND ERR GAMMA ARE ESSENTIAL COORDINATORS OF CARDIAC METABOLISM AND FUNCTION
  申请人：Salk Institute for Biological Studies

  公开号：US20180015057A1

  公开（公告）日：2018-01-18

  Provided herein are methods and kits for increasing cardiac contraction, increasing mitochondrial activity, and/or increasing oxphos activity. Such methods include use of therapeutically effective amounts of one or more agents that increases estrogen-related receptor (ERR) α activity and one or more agents that increases ERRγ activity. In some examples, the method further includes administering a therapeutically effective amount of one or more agents that increases mitofusin 1 (Mfn1) activity.
• ESTROGEN RELATED RECEPTOR GAMMA (ERRgamma) ENHANCES AND MAINTAINS BROWN FAT THERMOGENIC CAPACITY
  申请人：Salk Institute for Biological Studies

  公开号：US20180207114A1

  公开（公告）日：2018-07-26

  Brown adipose tissue (BAT) plays a role in keeping an organism warm in response to a cold environment. In response to cold, transcription factors, including peroxisome proliferator receptor alpha (PGC1α), mediate the adaptive changes in the expression of oxidative and thermogenic genes in BAT. However, even without cold, BAT exhibits high expression of these genes relative to white adipose tissue (WAT). It is shown herein that estrogen related receptor gamma (ERRγ) is a critical factor that controls the expression of key metabolic genes in BAT under basal conditions. ERRγ is highly expressed in BAT versus WAT, yet is not transcriptionally induced by cold, suggesting it plays an important role in innate basal BAT function rather than in the adaptive response to cold. Based on these observations, methods of increasing thermogenesis in a subject by administering a therapeutically effective amount of one or more agents that increase ERRγ activity are provided.