3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-(dimethylamino)phenyl)thiazolidin-4-one | 128317-57-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-(dimethylamino)phenyl)thiazolidin-4-one
• 英文别名: 4-(2-(4-(dimethylamino)phenyl)-4-oxothiazolidin-3-yl)-1,2-dihydro-2,3-dimethyl-1-phenylpyrazol-5-one；2-[4-(dimethylamino)phenyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazolidin-4-one；2-[4-(dimethylamino)phenyl]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one
• CAS: 128317-57-7
• 化学式: C₂₂H₂₄N₄O₂S
• 分子量: 408.524
• InChiKey: KLOFHPDYHUKQTB-UHFFFAOYSA-N

物化性质

• 熔点：
  135 °C(Solv: ethanol (64-17-5))
• 沸点：
  602.4±65.0 °C(Predicted)
• 密度：
  1.307±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  72.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  对二甲氨基苯甲醛 以 乙醇 、 苯 为溶剂， 反应 6.0h， 生成 3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-(dimethylamino)phenyl)thiazolidin-4-one
  参考文献：
  名称：

  Synthèse et triage pharmacologique d'une nouvelle série d'(antipyryl-4)-3 aryl-2 thiazolodinones-4

  摘要：

  DOI：

  10.1016/0223-5234(90)90016-v

文献信息

• THIAZOLIDINONE COMPOUNDS AND USE THEREOF
  申请人：National Health Research Institutes

  公开号：US20170253569A1

  公开（公告）日：2017-09-07

  A pharmaceutical composition containing a compound of Formula (I) for treating an opioid receptor-associated condition. Also disclosed is a method for treating an opioid receptor-associated condition using such a compound. Further disclosed are two sets of thiazolidinone compounds of formula (I): (i) compounds each having an enantiomeric excess greater than 90% and (ii) compounds each being substituted with deuterium.

  一种含有化合物（I）的药物组合物，用于治疗与阿片受体相关的疾病。还公开了一种使用这种化合物治疗阿片受体相关疾病的方法。进一步公开了两组式（I）的噻唑烷酮化合物：（i）每种化合物的对映体过量大于90%；（ii）每种化合物被氘取代。
• Activated Fly Ash Catalyzing the Synthesis of Novel Potent 4-Thiazolidinones of 4-Amino Antipyrine Anils Using CEM Discover Microwave Methodology and Their Virtual Screening
  作者：Manoj Dilip Shanti、Kaveri Shanti、Jyotsana Meshram

  DOI：10.1080/10426507.2013.769977

  日期：2013.10.1

  waste, has been used as an efficient and cost-effective activating catalyst for the synthesis of new potent thiazolidinones (4a–n), starting from imine (3a–n) and thioacetic acid. The reactions were performed under CEM Discover microwave irradiation in solvent-free conditions. This reaction is scalable to a multigram scale and the methodology has resulted in an efficient synthesis. Herein, a benign

  摘要 飞灰是一种工业废物，已被用作一种高效且具有成本效益的活化催化剂，用于以亚胺 (3a-n) 和硫代乙酸为原料合成新型强效噻唑烷酮 (4a-n)。反应在无溶剂条件下在 CEM Discover 微波辐射下进行。该反应可扩展到数克规模，并且该方法产生了有效的合成。在此，已经证明了一种用于合成噻唑烷酮的良性、环境友好、高效和极快的方法。基于元素分析、红外 (IR)、质谱和 1 H NMR 光谱数据表征所产生的噻唑烷酮分子。对合成的部分进行了虚拟筛选并讨论了它们可能的生物活性。图形概要
• Thiazolidinone compounds and use thereof
  申请人：National Health Research Institutes

  公开号：US10544113B2

  公开（公告）日：2020-01-28

  A pharmaceutical composition containing a compound of Formula (I) for treating an opioid receptor-associated condition. Also disclosed is a method for treating an opioid receptor-associated condition using such a compound. Further disclosed are two sets of thiazolidinone compounds of formula (I): (i) compounds each having an enantiomeric excess greater than 90% and (ii) compounds each being substituted with deuterium.

  一种含有用于治疗阿片受体相关疾病的式 (I) 化合物的药物组合物。还公开了一种使用此类化合物治疗阿片受体相关疾病的方法。进一步公开了两组式(I)的噻唑烷酮化合物：(i)对映体过量大于 90%的化合物和(ii)各自被氘取代的化合物。
• [EN] THIAZOLIDINONE COMPOUNDS AND USE THEREOF<br/>[FR] COMPOSÉS DE THIAZOLIDINONE ET LEUR UTILISATION
  申请人：SHIH CHUAN

  公开号：WO2017155910A1

  公开（公告）日：2017-09-14

  A pharmaceutical composition containing a compound of Formula (I) for treating an opioid receptor-associated condition. Also disclosed is a method for treating an opioid receptor-associated condition using such a compound. Further disclosed are two sets of thiazolidinone compounds of formula (I): (i) compounds each having an enantiomeric excess greater than 90% and (ii) compounds each being substituted with deuterium.