3,5-dimethyl-4-(2,2-dimethylacetyl)-pyrazole

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,5-dimethyl-4-(2,2-dimethylacetyl)-pyrazole
• 英文别名: 1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropan-1-one
• 化学式: C₉H₁₄N₂O
• 分子量: 166.223
• InChiKey: SNOAIAFVKYDABL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  45.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-(methylamino)-3-penten-2-one 在 一水合肼 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 3,5-dimethyl-4-(2,2-dimethylacetyl)-pyrazole
  参考文献：
  名称：

  α-酰基氨基酮反应性的研究。吡唑的合成

  摘要：

  4-（甲基氨基）-3-戊烯-2-酮与重氮酮的反应以良好的收率得到了α-酰基亚氨基酮1-3。α-酰基亚氨基酮4的制备是通过用苯甲酰氯处理4-（叔丁基氨基）-3-戊烯-2-酮，然后与甲胺进行氨基转移反应来进行的。反应在五种不同的溶剂中进行，并进行了气相色谱/质谱分析，目的是获得取代的吡唑并确定哪些羰基化合物将优先受到亲核试剂的攻击。化合物1-4与肼试剂的反应导致形成吡唑5-7a-q。在这些反应中也获得了少量的4-甲基氨基-2-戊烯酮10a-q，酰胺11a-q和吡唑12a-q。当在α-酰基氨基酮4与肼试剂的反应中使用甲醇和N，N-二甲基甲酰胺作为溶剂时，检测到吡唑15d，h，q的意外形成。

  DOI：

  10.1002/jhet.5570380116

文献信息

• [EN] OXIMYL MACROCYCLIC DERIVATIVES<br/>[FR] DÉRIVÉS MACROCYCLIQUES D'OXIMYLE
  申请人：ENANTA PHARM INC

  公开号：WO2009073713A1

  公开（公告）日：2009-06-11

  The present invention relates to compounds of Formula I, or pharmaceutically acceptable salts, esters, or prodrugs thereof: ( i ) which inhibit serine protease activity, particularly the activity of hepatitis C virus (HCV) NS3-NS4A protease. Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C 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 HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising a compound of the present invention.

  本发明涉及式I化合物，或其药用可接受的盐、酯或前药：(i)抑制丝氨酸蛋白酶活性，尤其是丙型肝炎病毒(HCV) NS3-NS4A蛋白酶的活性。因此，本发明的化合物干扰丙型肝炎病毒的生命周期，并且还可用作抗病毒剂。本发明进一步涉及包含前述化合物的药物组合物，用于给患有HCV感染的对象服用。本发明还涉及通过管理包含本发明化合物的药物组合物来治疗主体HCV感染的方法。
• [EN] QUINOXALINYL DERIVATIVES<br/>[FR] DÉRIVÉS DE QUINOXALINYLE
  申请人：ENANTA PHARM INC

  公开号：WO2009073719A1

  公开（公告）日：2009-06-11

  The present invention relates to compounds of Formula (I) or (II), or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit serine protease activity, particularly the activity of hepatitis C virus (HCV) NS3-NS4A protease. Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C 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 HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising a compound of the present invention.

  本发明涉及以下结构的化合物（I）或（II），或其药用盐、酯或前药：它们抑制丝氨酸蛋白酶活性，特别是乙型肝炎病毒（HCV）NS3-NS4A蛋白酶的活性。因此，本发明的化合物干扰乙型肝炎病毒的生命周期，同时也可用作抗病毒药物。本发明还涉及包含上述化合物的药物组合物，用于治疗患有HCV感染的受试者。该发明还涉及通过给受试者施用本发明化合物的药物组合物来治疗HCV感染的方法。
• PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS
  申请人：Wagaw Seble

  公开号：US20090156800A1

  公开（公告）日：2009-06-18

  The present invention relates to a process for the preparation of macrocyclic compounds that are useful as hepatitis C virus (HCV) protease inhibitor compounds.
• OXIMYL MACROCYCLIC DERIVATIVES
  申请人：Sun Ying

  公开号：US20090191153A1

  公开（公告）日：2009-07-30

  The present invention relates to compounds of Formula I, or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit serine protease activity, particularly the activity of hepatitis C virus (HCV) NS3-NS4A protease. Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C 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 HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising a compound of the present invention.
• QUINOXALINYL DERIVATIVES
  申请人：Niu Deqiang

  公开号：US20090180981A1

  公开（公告）日：2009-07-16

  The present invention relates to compounds of Formula I or II, or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit serine protease activity, particularly the activity of hepatitis C virus (HCV) NS3-NS4A protease. Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C 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 HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising a compound of the present invention.