[2-(6-methoxy-quinolin-4-yl)-4,5,6,7-tetrahydro-2H-indazol-5-yl]-carbamic acid tert-butyl ester | 911485-75-1

• 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-yl]-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[2-(6-methoxyquinolin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]carbamate
• CAS: 911485-75-1
• 化学式: C₂₂H₂₆N₄O₃
• 分子量: 394.473
• InChiKey: OLGQSJSAFFCYMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  78.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [2-(6-methoxy-quinolin-4-yl)-4,5,6,7-tetrahydro-2H-indazol-5-yl]-carbamic acid tert-butyl ester 在 盐酸 作用下， 以 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
• 作为产物：
  描述：

  4-N-Boc-氨基环己酮 在 对甲苯磺酸 作用下， 以 四氢呋喃 为溶剂， 生成 [2-(6-methoxy-quinolin-4-yl)-4,5,6,7-tetrahydro-2H-indazol-5-yl]-carbamic acid tert-butyl ester
  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。
• Novel pyrazole derivatives as potent inhibitors of type II topoisomerases. Part 1: Synthesis and preliminary SAR analysis
  作者：Laurent Gomez、Michael D. Hack、Jiejun Wu、John J.M. Wiener、Hari Venkatesan、Alejandro Santillán、Daniel J. Pippel、Neelakandha Mani、Brian J. Morrow、S. Timothy Motley、Karen Joy Shaw、Ronald Wolin、Cheryl A. Grice、Todd K. Jones

  DOI：10.1016/j.bmcl.2007.03.003

  日期：2007.5

  In an attempt to search for a new class of antibacterial agents, we have discovered a series of pyrazole analogs that possess good antibacterial activity for Gram-positive and Gram-negative organisms via inhibition of type II bacterial topoisomerases. We have investigated the structure-activity relationships of this series, with an emphasis on the length and conformation of the linker. This work led to the identification of tetrahydroindazole analogs, such as compound 1, as the most potent class of compounds. (c) 2007 Elsevier Ltd. All rights reserved.
• US7842810B2
  申请人：——

  公开号：US7842810B2

  公开（公告）日：2010-11-30