1-(3-Phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one | 87628-26-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(3-Phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one
• 英文别名: 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
• CAS: 87628-26-0
• 化学式: C₁₄H₁₅N₃O
• 分子量: 241.293
• InChiKey: WNYFMHRAUVOFIL-UHFFFAOYSA-N

物化性质

• 沸点：
  546.2±50.0 °C(Predicted)
• 密度：
  1.234±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  49
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(3-Phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one 在 盐酸 、 聚合甲醛 、 sodium hydride 作用下， 以 乙醇 为溶剂， 反应 7.5h， 生成 5-methyl-3-phenyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
  参考文献：
  名称：

  Synthesis, in vitro [3H]prazosin displacement, and in vivo activity of 3-aryl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridines, a new class of antihypertensive agents

  摘要：

  A series of new 3-aryl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridines was synthesized and screened for in vitro [3H]prazosin displacement activity. The results correlated well with their antihypertensive activity in spontaneous hypertensive rats. 1-Benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyrid ine (50, L 16052) was selected for further pharmacological evaluations of its potency when administered orally to conscious renal hypertensive dogs.

  DOI：

  10.1021/jm00145a015
• 作为产物：
  描述：

  N-乙酰基-4-哌啶酮 在 对甲苯磺酸 、 一水合肼 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 、 苯 为溶剂， 反应 31.0h， 生成 1-(3-Phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one
  参考文献：
  名称：

  Synthesis, in vitro [3H]prazosin displacement, and in vivo activity of 3-aryl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridines, a new class of antihypertensive agents

  摘要：

  A series of new 3-aryl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridines was synthesized and screened for in vitro [3H]prazosin displacement activity. The results correlated well with their antihypertensive activity in spontaneous hypertensive rats. 1-Benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyrid ine (50, L 16052) was selected for further pharmacological evaluations of its potency when administered orally to conscious renal hypertensive dogs.

  DOI：

  10.1021/jm00145a015

文献信息

• DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS
  申请人：Novira Therapeutics, Inc.

  公开号：US20160185779A1

  公开（公告）日：2016-06-30

  Provided herein are compounds useful for the treatment of HBV infection in a subject in need thereof, pharmaceutical compositions thereof, and methods of inhibiting, suppressing, or preventing HBV infection in the subject.

  本文提供了用于治疗需要治疗HBV感染患者的化合物，其制药组合物，以及抑制、抑制或预防该患者HBV感染的方法。
• Pharmacologically active pyrazolo(4,3-c)pyridines
  申请人：GRUPPO LEPETIT S.p.A.

  公开号：EP0086422B1

  公开（公告）日：1987-09-30
• Derivatives And Methods Of Treating Hepatitis B Infections
  申请人：Novira Therapeutics, Inc.

  公开号：US20170158691A1

  公开（公告）日：2017-06-08

  Provided herein are compounds useful for the treatment of HBV infection in a subject in need thereof, pharmaceutical compositions thereof, and methods of inhibiting, suppressing, or preventing HBV infection in the subject.
• US9550779B2
  申请人：——

  公开号：US9550779B2

  公开（公告）日：2017-01-24