2-(6-methoxy-quinolin-4-yl)-4,5,6,7-tetrahydro-2H-indazol-5-ylamine | 911485-74-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-(6-methoxy-quinolin-4-yl)-4,5,6,7-tetrahydro-2H-indazol-5-ylamine
• 英文别名: 2-(6-methoxyquinolin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine
• CAS: 911485-74-0
• 化学式: C₁₇H₁₈N₄O
• 分子量: 294.356
• InChiKey: IXAOBOAMUSLUAG-UHFFFAOYSA-N

物化性质

• 沸点：
  513.2±50.0 °C(predicted)
• 密度：
  1.37±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-氧代-3,4-二氢-2H-吡啶并[3,2-b][1,4]噁嗪-6-甲醛 、 2-(6-methoxy-quinolin-4-yl)-4,5,6,7-tetrahydro-2H-indazol-5-ylamine 在 sodium cyanoborohydride 作用下， 以 乙腈 为溶剂， 生成 6-{[2-(6-methoxy-quinolin-4-yl)-4,5,6,7-tetrahydro-2H-indazol-5-ylamino]-methyl}-4H-pyrido[3,2-b][1,4]oxazin-3-one
  参考文献：
  名称：

  Tetrahydroindazole inhibitors of bacterial type II topoisomerases. Part 2: SAR development and potency against multidrug-resistant strains

  摘要：

  We have previously reported a novel class of tetrahydroindazoles that display potency against a variety of Gram-positive and Gram-negative bacteria, potentially via interaction with type II bacterial topoisomerases. Herein are reported SAR investigations of this new series. Several compounds possessing broad-spectrum potency were prepared. Further, these compounds exhibit activity against multidrug-resistant Gram-positive microorganisms equivalent to that against susceptible strains. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.004
• 作为产物：
  描述：

  4-N-Boc-氨基环己酮 在 盐酸 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 生成 2-(6-methoxy-quinolin-4-yl)-4,5,6,7-tetrahydro-2H-indazol-5-ylamine
  参考文献：
  名称：

  Tetrahydroindazole inhibitors of bacterial type II topoisomerases. Part 2: SAR development and potency against multidrug-resistant strains

  摘要：

  We have previously reported a novel class of tetrahydroindazoles that display potency against a variety of Gram-positive and Gram-negative bacteria, potentially via interaction with type II bacterial topoisomerases. Herein are reported SAR investigations of this new series. Several compounds possessing broad-spectrum potency were prepared. Further, these compounds exhibit activity against multidrug-resistant Gram-positive microorganisms equivalent to that against susceptible strains. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.004

文献信息

• Bicyclic pyrazole compounds as antibacterial agents
  申请人：Allison D. Brett

  公开号：US20060223810A1

  公开（公告）日：2006-10-05

  Antibacterial compounds, compositions containing them, and methods of use for the inhibition of bacterial activity and the treatment, prevention or inhibition of bacterial infection.

  抗菌化合物、含有它们的组合物以及用于抑制细菌活性以及治疗、预防或抑制细菌感染的方法。
• BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS
  申请人：Allison Brett D.

  公开号：US20100280240A1

  公开（公告）日：2010-11-04

  Antibacterial compounds, compositions containing them, and methods of use for the inhibition of bacterial activity and the treatment, prevention or inhibition of bacterial infection.

  抗菌化合物，含有它们的组合物，以及用于抑制细菌活性和治疗、预防或抑制细菌感染的使用方法。
• BICYCLIC PIRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS
  申请人：Allison Brett D.

  公开号：US20100274004A1

  公开（公告）日：2010-10-28

  Antibacterial compounds, compositions containing them, and methods of use for the inhibition of bacterial activity and the treatment, prevention or inhibition of bacterial infection.

  抗菌化合物，含有它们的组合物以及使用方法，用于抑制细菌活动和治疗、预防或抑制细菌感染。
• US7842810B2
  申请人：——

  公开号：US7842810B2

  公开（公告）日：2010-11-30
• US8232391B2
  申请人：——

  公开号：US8232391B2

  公开（公告）日：2012-07-31