3-Phenyl-4,5-pentamethylen-1,2,4-triazol | 51828-07-0

• 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-Phenyl-4,5-pentamethylen-1,2,4-triazol
• 英文别名: 3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine；3-Phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin；3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
• CAS: 51828-07-0
• 化学式: C₁₃H₁₅N₃
• mdl: MFCD01652002
• 分子量: 213.282
• InChiKey: YNCFPURBKVPYQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.384
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  苯甲酸乙酯 在 hydrazine hydrate 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 15.0h， 生成 3-Phenyl-4,5-pentamethylen-1,2,4-triazol
  参考文献：
  名称：

  稠合三唑-氮杂杂合物作为潜在的非甾体类抗炎药

  摘要：

  非甾体类抗炎药 (NSAID) 是当今最古老、使用最广泛的药物组之一。然而，寻找和创造新的 NSAIDs 的问题仍然悬而未决，主要是由于短期和长期使用的风险。在这种情况下，三唑-氮杂杂化分子是合理设计新型潜在 NSAID 的有吸引力和有前景的对象。在目前的工作研究中，报道了 3-aryl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine 作为潜在的非甾体抗炎药。使用 SwissADME 在计算机上对所有测试的三唑-氮杂杂化物的药物样特性进行评估。使用酸诱导的扭体和角叉菜胶诱导的小鼠后爪水肿模型在体内进行镇痛和抗炎活性的筛选。鉴定了与参考药物酮咯酸和双氯芬酸钠相比活性水平更有效的衍生物。根据筛选结果进行初步 SAR。

  DOI：

  10.3390/scipharm91020026

文献信息

• Pharmaceutical use of fused 1,2,4-triazoles
  申请人：Andersen Sune Henrik

  公开号：US20060106008A1

  公开（公告）日：2006-05-18

  The use of fused 1,2,4-triazoles for modulating the activity of 11β-hydroxysteroid dehydrogenase type 1 (11βHSD1) and the use of these compounds as pharmaceutical compositions has been described. Also a novel class of fused 1,2,4-triazoles, their use in therapy, pharmaceutical compositions comprising the compounds, as well as their use in the manufacture of medicaments has been described. The present compounds are modulators and more specifically inhibitors of the activity of 11βHSD1 and may be useful in the treatment, prevention and/or prophylaxis of a range of medical disorders where a decreased intracellular concentration of active glucocorticoid is desirable.

  使用熔合的1,2,4-三唑类物质来调节11β-羟基类固醇脱氢酶1型（11βHSD1）的活性以及将这些化合物用作制药组合物已经被描述。同时，还描述了一种新的熔合的1,2,4-三唑类物质，它们在治疗中的使用、包含这些化合物的制药组合物以及它们在制造药物方面的使用。这些化合物是调节剂，更具体地说是11βHSD1的抑制剂，可能在治疗、预防和/或预防一系列医学疾病中有用，其中需要降低细胞内活性糖皮质激素的浓度。
• Pharmaceutical Use of Fused 1,2,4-Triazoles
  申请人：Andersen Henrik Sune

  公开号：US20080153807A1

  公开（公告）日：2008-06-26

  The use of fused 1,2,4-triazoles for modulating the activity of 11β-hydroxysteroid dehydrogenase type 1 (11βHSD1) and the use of these compounds as pharmaceutical compositions has been described. Also a novel class of fused 1,2,4-triazoles, their use in therapy, pharmaceutical compositions comprising the compounds, as well as their use in the manufacture of medicaments has been described. The present compounds are modulators and more specifically inhibitors of the activity of 11βHSD1 and may be useful in the treatment, prevention and/or prophylaxis of a range of medical disorders where a decreased intracellular concentration of active glucocorticoid is desirable.

  使用熔合的1,2,4-三唑类化合物来调节11β-羟基类固醇脱氢酶1型（11βHSD1）的活性，并将这些化合物用作制药组合物的用途已经被描述。同时，还描述了一种新型的熔合的1,2,4-三唑类化合物，它们在治疗中的应用、包含这些化合物的制药组合物，以及它们在制造药物方面的用途。这些化合物是调节剂，更具体地说是11βHSD1的抑制剂，并可用于治疗、预防和/或预防一系列医学疾病，其中需要降低细胞内活性糖皮质激素的浓度。
• PHARMACEUTICAL USE OF FUSED 1,2,4-TRIAZOLES
  申请人：Andersen Henrik Sune

  公开号：US20100197658A1

  公开（公告）日：2010-08-05

  Methods of using fused 1,2,4-triazoles for modulating the activity of 11β-hydroxysteroid dehydrogenase type 1 (11βHSD1) are described. The present compounds are modulators and more specifically inhibitors of the activity of 11βHSD1 and may be useful in the treatment, prevention and/or prophylaxis of a range of medical disorders where a decreased intracellular concentration of active glucocorticoid is desirable, including type 2 diabetes and metabolic syndrome.

  本文介绍了使用熔合的1,2,4-三唑类物质来调节11β-羟基类固醇脱氢酶1型（11βHSD1）活性的方法。这些化合物是调节剂，更具体地说是11βHSD1活性的抑制剂，可用于治疗、预防和/或预防一系列医学疾病，其中降低细胞内活性糖皮质激素浓度是有益的，包括2型糖尿病和代谢综合征。
• Fused 1,2,4-triazoles and pharmaceutical uses thereof
  申请人：NOVO NORDISK A/S

  公开号：EP1785424A2

  公开（公告）日：2007-05-16

  The use of fused 1,2,4-triazoles for modulating the activity of 11 β-hydroxysteroid dehydrogenase type 1 (11βHSD1) and the use of these compounds as pharmaceutical compositions has been described. Also a novel class of fused 1,2,4-triazoles, their use in therapy, pharmaceutical compositions comprising the compounds, as well as their use in the manufacture of medicaments has been described. The present compounds are modulators and more specifically inhibitors of the activity of 11βHSD1 and may be useful in the treatment, prevention and/or prophylaxis of a range of medical disorders where a decreased intracellular concentration of active glucocorticoid is desirable.

  本文介绍了融合的 1,2,4-三唑在调节 11 β-羟基类固醇脱氢酶 1 型（11βHSD1）活性方面的用途，以及这些化合物作为药物组合物的用途。此外，还介绍了一类新型融合 1,2,4-三唑、它们在治疗中的用途、包含这些化合物的药物组合物以及它们在制造药物中的用途。本化合物是 11βHSD1 活性的调节剂，更具体地说是抑制剂，可用于治疗、预防和/或预防一系列需要降低细胞内活性糖皮质激素浓度的疾病。
• Combinations of an 11-beta-hydroxysteroid dehaydrogenase type 1 inhibitor and a glucocorticoid receptor agonist
  申请人：NOVO NORDISK A/S

  公开号：EP1854487A2

  公开（公告）日：2007-11-14

  Combination therapy comprising the administration of an 11β-hydroxysteroid dehydrogenase type 1 inhibitor and a glucocorticoid receptor agonist for treating some forms of cancer, diseases and disorders having inflammation as a component, and to minimize the side effects associated with glucorticoid receptor agonist therapy.

  由 11β- 羟类固醇脱氢酶 1 型抑制剂和糖皮质激素受体激动剂组成的联合疗法，用于治疗某些形式的癌症、以炎症为组成部分的疾病和失调，并最大限度地减少与糖皮质激素受体激动剂疗法相关的副作用。