N-benzyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyr idine-5-carboxamide | 1491164-98-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-benzyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyr idine-5-carboxamide
• 英文别名: N-benzyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• CAS: 1491164-98-7
• 化学式: C₂₀H₂₀N₄O
• 分子量: 332.405
• InChiKey: OXPCAIQTZHRPFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  61
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-benzyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyr idine-5-carboxamide 、 环己甲酰氯 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以69%的产率得到N-benzyl-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide
  参考文献：
  名称：

  Development of 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine derivatives as novel Mycobacterium tuberculosis pantothenate synthetase inhibitors

  摘要：

  Forty 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine derivatives were synthesized from piperidin-4-one by five step synthesis and evaluated for Mycobacterium tuberculosis (MTB) pantothenate synthetase (PS) inhibition study, in vitro activities against MTB, cytotoxicity against RAW 264.7 cell line. Among the compounds, 1-benzoyl-N-(4-nitrophenyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide (6ac) was found to be the most active compound with IC50 of 21.8 +/- 0.8 mu M against MTB PS, inhibited MTB with MIC of 26.7 mu M and it was non-cytotoxic at 50 RM. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.08.036
• 作为产物：
  描述：

  N-叔丁氧羰基-4-哌啶酮 在 吗啉 、 对甲苯磺酸 、 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 46.0h， 生成 N-benzyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyr idine-5-carboxamide
  参考文献：
  名称：

  Development of 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine derivatives as novel Mycobacterium tuberculosis pantothenate synthetase inhibitors

  摘要：

  Forty 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine derivatives were synthesized from piperidin-4-one by five step synthesis and evaluated for Mycobacterium tuberculosis (MTB) pantothenate synthetase (PS) inhibition study, in vitro activities against MTB, cytotoxicity against RAW 264.7 cell line. Among the compounds, 1-benzoyl-N-(4-nitrophenyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide (6ac) was found to be the most active compound with IC50 of 21.8 +/- 0.8 mu M against MTB PS, inhibited MTB with MIC of 26.7 mu M and it was non-cytotoxic at 50 RM. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.08.036

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。
• Derivatives and methods of treating hepatitis B infections
  申请人：Novira Therapeutics, Inc.

  公开号：US10077264B2

  公开（公告）日：2018-09-18

  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有需要的受试者 HBV 感染的化合物、其药物组合物以及抑制、抑制或预防受试者 HBV 感染的方法。
• 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