5-Amino-3-cyclohexylamino-1H-1,2,4-triazole | 128626-65-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-Amino-3-cyclohexylamino-1H-1,2,4-triazole
• 英文别名: N3-Cyclohexyl-1H-1,2,4-triazole-3,5-diamine；3-N-cyclohexyl-1H-1,2,4-triazole-3,5-diamine
• CAS: 128626-65-3
• 化学式: C₈H₁₅N₅
• mdl: MFCD20666715
• 分子量: 181.241
• InChiKey: SXFVDYFLFNDXKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  79.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-Amino-3-cyclohexylamino-1H-1,2,4-triazole 、 乙酰乙酸乙酯 以 溶剂黄146 为溶剂， 反应 2.0h， 以95%的产率得到2-Cyclohexylamino-5-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
  参考文献：
  名称：

  On triazoles XIX: The reaction of 5-amino-1,2,4-triazoles with functionalized acetoacetic esters

  摘要：

  DOI：

  10.1007/bf00809530

文献信息

• On triazoles XLIII. Synthesis of 1,2,4-triazolyl isoquinolinium zwitter ions
  作者：Ibolya Prauda、István Kövesdi、PÉTer Trinka、JÓZsef Reiter

  DOI：10.1002/jhet.5570380215

  日期：2001.3

  Type 8 isoquinolinium zwitter ions were synthesised by the reaction of type 1 diketones or type 2 pyrylium salts with different 5-amino-3-Q-1H-1,2,4-triazoles. Spectroscopic and X-ray diffraction evidence was given for the zwitter ion structure of the products obtained. The position of the negative charge on the 1,2,4-tiazolium ring was proved by comparison of the cmr and uv spectra of the products

  键入8异喹啉鎓两性离子通过型的反应，合成1酮类或键入2具有不同的5-氨基-3- Q-1吡喃鎓盐ħ -1,2,4-三唑。给出了所得产物的两性离子结构的光谱和X射线衍射证据。通过比较为此目的制备的三种可能的N-苄基衍生物14-16获得的产物的cmr和uv光谱，证明了1,2,4-噻唑环上的负电荷位置。
• Biguanide compositions and methods of treating metabolic disorders
  申请人：Elcelyx Therapeutics, Inc.

  公开号：US10028923B2

  公开（公告）日：2018-07-24

  Provided herein are methods for treating certain conditions, including diabetes, obesity, and other metabolic diseases, disorders or conditions by administrating a composition comprising a biguanide or related heterocyclic compound, e.g., metformin. Also provided herein are biguanide or related heterocyclic compound compositions, and methods for the preparation thereof for use in the methods of the present invention. Also provided herein are compositions comprising metformin and salts thereof and methods of use.

  本文提供了通过施用包含双胍类或相关杂环化合物（如二甲双胍）的组合物来治疗某些疾病（包括糖尿病、肥胖症和其他代谢性疾病、失调或病症）的方法。本文还提供了双胍类或相关杂环化合物组合物及其用于本发明方法的制备方法。本文还提供了包含二甲双胍及其盐类的组合物和使用方法。
• Reiter, Jozsef; Esses-Reiter, Klara, Journal of Heterocyclic Chemistry, 1991, vol. 28, # 3, p. 561 - 571
  作者：Reiter, Jozsef、Esses-Reiter, Klara

  DOI：——

  日期：——
• REITER, JOZSEF;PONGO, LASZLO;SOMORAI, TAMAS;PALLAGI, ISTVAN, MONATSH. CHEM., 121,(1990) N-3, C. 173-187
  作者：REITER, JOZSEF、PONGO, LASZLO、SOMORAI, TAMAS、PALLAGI, ISTVAN

  DOI：——

  日期：——
• Biguanide Compositions and Methods of Treating Metabolic Disorders
  申请人：Baron Alain D.

  公开号：US20130095140A1

  公开（公告）日：2013-04-18

  Provided herein are methods for treating certain conditions, including diabetes, obesity, and other metabolic diseases, disorders or conditions by administrating a composition comprising a biguanide or related heterocyclic compound, e.g., metformin. Also provided herein are biguanide or related heterocyclic compound compositions, and methods for the preparation thereof for use in the methods of the present invention. Also provided herein are compositions comprising metformin and salts thereof and methods of use.