2-(3-cyano-4-isobutoxyphenyl)-4-methyl-N-(4-sulfamoylphenyl)thiazole-5-carboxamide

• 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: 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-N-(4-sulfamoylphenyl)thiazole-5-carboxamide
• 英文别名: cyclophilin D；CypD inhibitor C-9；2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-N-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide
• 化学式: C₂₂H₂₂N₄O₄S₂
• 分子量: 470.573
• InChiKey: XYSDAMUFZPVEAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  172
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carbonyl chloride 、 磺胺 以 乙腈 为溶剂， 反应 4.0h， 生成 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-N-(4-sulfamoylphenyl)thiazole-5-carboxamide
  参考文献：
  名称：

  CYCLOPHILIN D INHIBITORS

  摘要：

  能够作为Cyclophilin D的化合物可以包括Formula 1、Formula 2、Formula 3、Formula 4、Formula 5、Formula 6、Formula 7或Formula 8的结构，其衍生物，前药，盐或其立体异构体，或在任何手性中心具有任何手性，或互变异构体，多晶形，溶剂化物或其组合，如本文所述。Cyclophilin D抑制剂可以抑制神经退行性疾病的发生或治疗，例如阿尔茨海默病，或可用于抑制糖尿病的进展或治疗。

  公开号：

  US20160075669A1

文献信息

• Compositions and methods for enhancing cardiac function in the neonate
  申请人：UNIVERSITY OF ROCHESTER

  公开号：US10179161B2

  公开（公告）日：2019-01-15

  The invention provides novel pharmaceutical compositions and methods for treating newborns in need of enhanced cardiac function, in particular, newborns suffering from cardiomyopathy, or a related disease or condition.

  本发明提供了用于治疗需要增强心脏功能的新生儿，特别是患有心肌病或相关疾病的新生儿的新型药物组合物和方法。
• Identification of a Small Molecule Cyclophilin D Inhibitor for Rescuing Aβ-Mediated Mitochondrial Dysfunction
  作者：Koteswara Rao Valasani、Qinru Sun、Du Fang、Zhihua Zhang、Qing Yu、Yaopeng Guo、Jianping Li、Anuradha Roy、Shirley ShiDu Yan

  DOI：10.1021/acsmedchemlett.5b00451

  日期：2016.3.10

  Cyclophilin D (CypD), a peptidylprolyl isomerase F (PPIase), plays a central role in opening the mitochondrial membrane permeability transition pore leading to cell death. CypD resides in the mitochondrial matrix, associates with the inner mitochondria' membrane, interacts with amyloid beta to exacerbate mitochondria' and neuronal stress and has been linked to Alzheimer's disease (AD). We report the biological activity of a small-molecule CypD inhibitor (C-9), which binds strongly to CypD and attenuates mitochondria' and cellular perturbation insulted by A beta and calcium stress. Binding affinities for C-9 were determined using in vitro surface plasmon resonance. This compound antagonized calcium-mediated mitochondrial swelling, abolished A beta-induced mitochondria' dysfunction as shown by increased cytochrome c oxidase activity and adenosine-5'-triphosphate levels, and inhibited CypD PPIase enzymatic activity by real-time fluorescence capture assay using Hamamatsu FDSS 7000. Compound C-9 seems a good candidate for further investigation as an AD drug.
• COMPOSITIONS AND METHODS FOR ENHANCING CARDIAC FUNCTION IN THE NEONATE
  申请人：University of Rochester

  公开号：US20170239322A1

  公开（公告）日：2017-08-24

  The invention provides novel pharmaceutical compositions and methods for treating newborns in need of enhanced cardiac function, in particular, newborns suffering from cardiomyopathy, or a related disease or condition.
• US9738615B2
  申请人：——

  公开号：US9738615B2

  公开（公告）日：2017-08-22