1-(1,3-dimethyl-1H-pyrazol-5-yl)-3-phenylurea | 1170934-12-9

• 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: 1-(1,3-dimethyl-1H-pyrazol-5-yl)-3-phenylurea
• 英文别名: 1-(2,5-Dimethylpyrazol-3-yl)-3-phenylurea
• CAS: 1170934-12-9
• 化学式: C₁₂H₁₄N₄O
• 分子量: 230.269
• InChiKey: BDENCSROZBVAQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  59
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(1,3-dimethyl-1H-pyrazol-5-yl)-3-phenylurea 在 盐酸 、 potassium nitrite 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 24.0h， 以10.3%的产率得到N'-(4-diazonio-2,5-dimethylpyrazol-3-yl)-N-phenylcarbamimidate
  参考文献：
  名称：

  Synthesis and anti-staphylococcal activity of new 4-diazopyrazole derivatives

  摘要：

  Several new 4-diazopyrazole derivatives 6a-g and 9a-c were obtained by the reaction of 1-(R-substituted-phenyl)-3-(1,3-dimethyl-1H-pyrazol-5-yl)ureas 5a-g and N-(1,3-dimethyl-1H-pyrazol-5-yl)-2-(R-substituted-phenyl)acetamides 8a-c respectively with a sevenfold excess of nitrous acid in acetic acid solution. The compounds were assayed for their activity against the Staphylococcus aureus reference strains ATCC 25923, ATCC 29213 and ATCC 6538, as well as six veterinary strains. The best anti-staphylococcal profile was showed by [(R-substituted-phenyl)acetyl](4-diazonio-1,3-dimethyl-1H-pyrazol-5-yl)azanides 9a,c. Compound 9c was also able at 3.1 mu g mL(-1) to inhibit of 45.7% the biofilm formation of the strains S. aureus ATCC 29213. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.09.041
• 作为产物：
  描述：

  5-氨基-1,3-二甲基吡唑 、 异氰酸苯酯 以 四氢呋喃 为溶剂， 反应 24.0h， 以32.3%的产率得到1-(1,3-dimethyl-1H-pyrazol-5-yl)-3-phenylurea
  参考文献：
  名称：

  Synthesis and anti-staphylococcal activity of new 4-diazopyrazole derivatives

  摘要：

  Several new 4-diazopyrazole derivatives 6a-g and 9a-c were obtained by the reaction of 1-(R-substituted-phenyl)-3-(1,3-dimethyl-1H-pyrazol-5-yl)ureas 5a-g and N-(1,3-dimethyl-1H-pyrazol-5-yl)-2-(R-substituted-phenyl)acetamides 8a-c respectively with a sevenfold excess of nitrous acid in acetic acid solution. The compounds were assayed for their activity against the Staphylococcus aureus reference strains ATCC 25923, ATCC 29213 and ATCC 6538, as well as six veterinary strains. The best anti-staphylococcal profile was showed by [(R-substituted-phenyl)acetyl](4-diazonio-1,3-dimethyl-1H-pyrazol-5-yl)azanides 9a,c. Compound 9c was also able at 3.1 mu g mL(-1) to inhibit of 45.7% the biofilm formation of the strains S. aureus ATCC 29213. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.09.041

文献信息

• HEPATITIS B ANTIVIRAL AGENTS
  申请人：Enanta Pharmaceuticals, Inc.

  公开号：US20170022150A1

  公开（公告）日：2017-01-26

  The present invention discloses compounds of Formula (I), or pharmaceutically acceptable salts, esters, or prodrugs thereof: X-A 1 -Y-A 2 -Z-L-R  (I) which inhibit the protein(s) encoded by hepatitis B virus (HBV) or interfere with the function of the HBV life cycle of the hepatitis B virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HBV infection. The invention also relates to methods of treating an HBV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明揭示了化合物的化学式（I），或其药学上可接受的盐、酯或前药：X-A1-Y-A2-Z-L-R（I），这些化合物抑制由乙型肝炎病毒（HBV）编码的蛋白质或干扰乙型肝炎病毒的生命周期功能，并且还可用作抗病毒剂。本发明还涉及包括上述化合物的药物组合物，用于给患有HBV感染的受试者进行治疗。该发明还涉及通过给予包含本发明化合物的药物组合物来治疗受试者的HBV感染的方法。
• US3973946A
  申请人：——

  公开号：US3973946A

  公开（公告）日：1976-08-10
• US4032638A
  申请人：——

  公开号：US4032638A

  公开（公告）日：1977-06-28
• Synthesis and anti-staphylococcal activity of new 4-diazopyrazole derivatives
  作者：Maria Valeria Raimondi、Benedetta Maggio、Demetrio Raffa、Fabiana Plescia、Stella Cascioferro、Gabriella Cancemi、Domenico Schillaci、Maria Grazia Cusimano、Maria Vitale、Giuseppe Daidone

  DOI：10.1016/j.ejmech.2012.09.041

  日期：2012.12

  Several new 4-diazopyrazole derivatives 6a-g and 9a-c were obtained by the reaction of 1-(R-substituted-phenyl)-3-(1,3-dimethyl-1H-pyrazol-5-yl)ureas 5a-g and N-(1,3-dimethyl-1H-pyrazol-5-yl)-2-(R-substituted-phenyl)acetamides 8a-c respectively with a sevenfold excess of nitrous acid in acetic acid solution. The compounds were assayed for their activity against the Staphylococcus aureus reference strains ATCC 25923, ATCC 29213 and ATCC 6538, as well as six veterinary strains. The best anti-staphylococcal profile was showed by [(R-substituted-phenyl)acetyl](4-diazonio-1,3-dimethyl-1H-pyrazol-5-yl)azanides 9a,c. Compound 9c was also able at 3.1 mu g mL(-1) to inhibit of 45.7% the biofilm formation of the strains S. aureus ATCC 29213. (C) 2012 Elsevier Masson SAS. All rights reserved.