6-phenyl-5-piperidinyl-3(2H)-pyridazinone | 220967-35-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 6-phenyl-5-piperidinyl-3(2H)-pyridazinone
• 英文别名: 6-phenyl-5-piperidino-3(2H)-pyridazinone；3-phenyl-4-piperidin-1-yl-1H-pyridazin-6-one
• CAS: 220967-35-1
• 化学式: C₁₅H₁₇N₃O
• 分子量: 255.319
• InChiKey: RVTJSKAUBHADKA-UHFFFAOYSA-N

物化性质

• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  44.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N,N-二甲基甲酰胺二甲基缩醛 、 6-phenyl-5-piperidinyl-3(2H)-pyridazinone 以 N,N-二甲基甲酰胺 为溶剂， 以98%的产率得到2-Methyl-6-phenyl-5-piperidin-1-yl-2H-pyridazin-3-one
  参考文献：
  名称：

  PYRIDAZINE DERIVATIVES. XXIV.[1] EFFICIENTN-METHYLATION OF DIVERSELY SUBSTITUTED 3(2H)-PYRIDAZINONES USINGN,N-DIMETHYLFORMAMIDE DIMETHYLACETAL

  摘要：

  A series of diversely substituted 3(2H)-pyridazinones were efficiently N-methylated at position 2 by treatment with N,N-dimethylformamide dimethylacetal in DMF.

  DOI：

  10.1081/scc-120004258
• 作为产物：
  描述：

  3,4-二溴-5-苯基-2(5H)-呋喃酮 在 一水合肼 作用下， 以 乙二醇 为溶剂， 反应 7.0h， 生成 6-phenyl-5-piperidinyl-3(2H)-pyridazinone
  参考文献：
  名称：

  哒嗪。十五。合成6-芳基-5-氨基-3（2 H）-哒嗪酮作为潜在的血小板凝集抑制剂† ‡

  摘要：

  已经制备了几个在哒嗪核的5-位具有氨基的3（2 H）-哒嗪酮。从粘氯酸和粘溴酸得到的6-芳基-5-卤代-3（2 H）-哒嗪酮导致相应的5-烷基氨基-3（2 H）-哒嗪酮，其被测试为血小板聚集抑制剂。

  DOI：

  10.1002/jhet.5570350634

文献信息

• Macrocyclic hepatitis C serine protease inhibitors
  申请人：Miao Zhenwei

  公开号：US20050153877A1

  公开（公告）日：2005-07-14

  The present invention relates to compounds of Formula I, II or Ill, or a pharmaceutically acceptable salt, ester, or prodrug, thereof: wherein W is a substituted or unsubstituted heterocyclic ring system. The compounds 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 the compounds of the present invention.

  本发明涉及式I、II或III的化合物，或其药用可接受的盐、酯或前药： 其中W是取代或未取代的杂环环系。这些化合物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上述化合物的药物组合物，用于给患有HCV感染的对象进行给药。本发明还涉及通过给主体投药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。
• Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors
  申请人：——

  公开号：US20040180815A1

  公开（公告）日：2004-09-16

  The present invention relates to compounds of Formula I or II, or a pharmaceutically acceptable salt, ester, or prodrug, thereof: 1 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 the compounds of the present invention.

  本发明涉及公式I或II的化合物，或其药学上可接受的盐，酯或前药：1，它们抑制丝氨酸蛋白酶活性，特别是丝氨酸蛋白酶NS3-NS4A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，也可用作抗病毒剂。本发明还涉及包含上述化合物的制药组合物，用于治疗患有丙型肝炎病毒感染的受试者。本发明还涉及通过给予包含本发明化合物的制药组合物来治疗受试者的丙型肝炎感染的方法。
• MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS
  申请人：Miao Zhenwei

  公开号：US20090304629A1

  公开（公告）日：2009-12-10

  The present invention relates to compounds of Formula I, II or III, or a pharmaceutically acceptable salt, ester, or prodrug, thereof: wherein W is a substituted or unsubstituted heterocyclic ring system. The compounds 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 the compounds of the present invention.

  本发明涉及I、II或III式化合物，或其药学上可接受的盐、酯或前药： 其中W是取代或未取代的杂环环系。这些化合物能够抑制丝氨酸蛋白酶活性，特别是丙型肝炎病毒（HCV）NS3-NS4A蛋白酶的活性。因此，本发明的化合物干扰了丙型肝炎病毒的生命周期，也可用作抗病毒剂。本发明还涉及包括上述化合物的制药组合物，用于治疗患有HCV感染的受试者。本发明还涉及通过给予包括本发明的化合物的制药组合物来治疗受试者的HCV感染的方法。
• EP1590442A4
  申请人：——

  公开号：EP1590442A4

  公开（公告）日：2007-07-18
• Pyridazinonyl Macrocyclic Hepatitis C Serine Protease Inhibitors
  申请人：Moore Joel D.

  公开号：US20090035272A1

  公开（公告）日：2009-02-05

  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.