1-Amidino-3-phenyl-Δ(2)-pyrazolin | 31059-58-2

• 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-Amidino-3-phenyl-Δ(2)-pyrazolin
• 英文别名: 3-phenyl-4,5-dihydro-pyrazole-1-carboximidic acid amide；3-phenyl-4,5-dihydro-pyrazole-1-carbonimidic acid amide；3-Phenyl-4,5-dihydro-pyrazol-1-carbimidsaeure-amid；4,5-Dihydro-3-phenyl-1H-pyrazole-1-carboximidamide；5-phenyl-3,4-dihydropyrazole-2-carboximidamide
• CAS: 31059-58-2
• 化学式: C₁₀H₁₂N₄
• 分子量: 188.232
• InChiKey: RHCSNVQODNVSLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  65.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-phenyl-4,5-dihydro-1H-pyrazole 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydroxide 作用下， 生成 1-Amidino-3-phenyl-Δ(2)-pyrazolin
  参考文献：
  名称：

  取代肼与曼尼希碱反应形成吡唑啉的机理

  摘要：

  与曼尼希碱氨基胍硝酸盐反应，ARCO·CH 2 ·CH 2 ·NME 2形成，这取决于pH值，二β酮基肼，1-脒基Δ 2个-pyrazolines，或amidinohydrazone dinitrates。这些取代的不显示肼嵌合现象而形成吡唑啉，可能是因为它们以错误的几何形式存在。建议的吡唑啉形成机理涉及从曼尼希碱中消除形成乙烯基酮，然后形成vinyl（构型正确）。随后，该环化成吡唑啉。

  DOI：

  10.1039/j39710000080

文献信息

• NOVEL 5-HT2 ANTAGONISTS
  申请人：AnaMar AB

  公开号：EP3109237A1

  公开（公告）日：2016-12-28

  The present invention relates to 1-amidino-3-aryl-2-pyrazoline derivatives of the general formula I The invention specifically relates to such derivatives which exhibit antagonizing activity towards serotonin 5-HT2B receptors. The present invention also relates to use of said compounds as a medicament and for the treatment of fibrosis, cardiovascular diseases, pain, IBD, and other inflammatory diseases, as well as pharmaceutical compositions comprising one or more of said compounds and methods of treatment.

  本发明涉及通式I的1-酰胺基-3-芳基-2-吡唑啉衍生物。该发明具体涉及表现出对5-HT2B受体具有拮抗活性的这类衍生物。本发明还涉及将所述化合物用作药物以及用于治疗纤维化、心血管疾病、疼痛、炎症性肠病和其他炎症性疾病的用途，以及包含一种或多种所述化合物的药物组合物和治疗方法。
• [EN] NOVEL 5-HT2 ANTAGONISTS<br/>[FR] NOUVEAUX ANTAGONISTES 5-HT2
  申请人：ANAMAR AB

  公开号：WO2016207231A1

  公开（公告）日：2016-12-29

  The present invention relates to 1-amidino-3-aryl-2-pyrazoline derivatives of the general formula I The invention specifically relates to such derivatives which exhibit antagonizing activity towards serotonin 5-HT2B receptors. The present invention also relates to use of said compounds as a medicament and for the treatment of fibrosis, cardiovascular diseases, pain, IBD, and other inflammatory diseases, as well as pharmaceutical compositions comprising one or more of said compounds and methods of treatment.

  本发明涉及通式I的1-酰胺基-3-芳基-2-吡唑啉衍生物。本发明特别涉及具有拮抗5-羟色胺5-HT2B受体活性的这些衍生物。本发明还涉及使用所述化合物作为药物并用于治疗纤维化、心血管疾病、疼痛、炎症性肠病和其他炎症性疾病，以及包含一种或多种所述化合物的制药组合物和治疗方法。
• 5-HT2 antagonists
  申请人：ANAMAR AB

  公开号：US10544103B2

  公开（公告）日：2020-01-28

  Provided are 1-amidino-3-aryl-2-pyrazoline derivatives which exhibit antagonizing activity towards serotonin 5-HT 2B receptors and pharmaceutical compositions containing these derivatives. Also provided is the use of the compounds as a medicament and for the treatment of fibrosis, cardiovascular diseases, pain, IBD, and other inflammatory diseases.

  本研究提供了对5-羟色胺5-HT 2B受体具有拮抗活性的1-脒基-3-芳基-2-吡唑啉衍生物以及含有这些衍生物的药物组合物。还提供了这些化合物作为药物和治疗纤维化、心血管疾病、疼痛、IBD 和其他炎症性疾病的用途。
• Scott; Scott, Chimia, 1958, vol. 12, p. 148
  作者：Scott、Scott

  DOI：——

  日期：——