7-Brom-4-hydroxy-cinnolin | 2045-94-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 7-Brom-4-hydroxy-cinnolin
• 英文别名: 7-Bromocinnolin-4(1h)-one；7-bromo-1H-cinnolin-4-one
• CAS: 2045-94-5
• 化学式: C₈H₅BrN₂O
• 分子量: 225.044
• InChiKey: DUUMGNXHYRVJTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-Brom-4-hydroxy-cinnolin 在 potassium tert-butylate 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 反应 12.5h， 生成 4-(4-Chlorocinnolin-7-yl)morpholine
  参考文献：
  名称：

  EP3992189

  摘要：

  公开号：
• 作为产物：
  描述：

  1-(2-氨基-4-溴苯基)乙酮 在 盐酸 、 sodium nitrite 作用下， 以 水 为溶剂， 反应 0.25h， 以26%的产率得到7-Brom-4-hydroxy-cinnolin
  参考文献：
  名称：

  PROTOZOAN PARASITE GROWTH INHIBITORS

  摘要：

  用于抑制原生动物寄生虫生长的化合物和方法。通过向主体施用如本文所述的治疗有效量的化合物来治疗原生动物寄生虫感染的方法。这些化合物和方法可用于抑制如非洲锥虫、克鲁兹锥虫、利什曼原虫属和疟原虫属等原生动物寄生虫的生长。

  公开号：

  US20150259331A1

文献信息

• PROTOZOAN PARASITE GROWTH INHIBITORS
  申请人：Northeastern University

  公开号：US20150259331A1

  公开（公告）日：2015-09-17

  Compounds and methods for inhibiting growth of a protozoan parasite. Methods of treating a protozoan parasite infection in a subject by administering a therapeutically effective amount of a compound as disclosed herein. The compounds and methods can be used to inhibit growth of protozoan parasites such as Trypanosoma brucei, Trypanosoma cruzi, Leishmania spp., and Plasmodium spp.

  用于抑制原生动物寄生虫生长的化合物和方法。通过向主体施用如本文所述的治疗有效量的化合物来治疗原生动物寄生虫感染的方法。这些化合物和方法可用于抑制如非洲锥虫、克鲁兹锥虫、利什曼原虫属和疟原虫属等原生动物寄生虫的生长。
• INHIBITORS OF LRRK2 KINASE ACTIVITY
  申请人：Aubele Danielle L.

  公开号：US20150284337A1

  公开（公告）日：2015-10-08

  The present invention provides compounds having a structure according to Formula I: (I) or a salt or solvate thereof, wherein R1, R2, R3 and R4 are defined herein. The invention further provides pharmaceutical compositions including the compounds of the invention and methods of making and using the compounds and compositions of the invention, e.g., in the treatment and prevention of various disorders, such as Parkinson's disease.

  本发明提供具有以下公式I结构的化合物：(I)或其盐或溶剂，其中R1、R2、R3和R4在此定义。本发明还提供包括本发明化合物的药物组合物以及制备和使用本发明化合物和组合物的方法，例如，用于治疗和预防各种疾病，如帕金森病。
• Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors
  申请人：AMGEN INC.

  公开号：US20160137636A1

  公开（公告）日：2016-05-19

  The present invention provides compounds of Formula I or pharmaceutically acceptable salts thereof, that are inhibitors of voltage-gated sodium channels, in particular Nav1.7. The compounds are useful for the treatment of diseases treatable by inhibition of sodium channels such as pain disorders. Also provided are pharmaceutical compositions containing compounds of the present invention.

  本发明提供了I式化合物或其药学上可接受的盐，其为电压门控钠通道抑制剂，特别是Nav1.7。该化合物可用于治疗可通过钠通道抑制治疗的疾病，如疼痛障碍。还提供了含有本发明化合物的制药组合物。
• [EN] INHIBITORS OF LRRK2 KINASE ACTIVITY<br/>[FR] INHIBITEURS DE L'ACTIVITÉ LRRK2 KINASE
  申请人：ELAN PHARM INC

  公开号：WO2012162254A8

  公开（公告）日：2014-01-09
• Sulfonamides as Selective Na_V1.7 Inhibitors: Optimizing Potency and Pharmacokinetics While Mitigating Metabolic Liabilities
  作者：Matthew M. Weiss、Thomas A. Dineen、Isaac E. Marx、Steven Altmann、Alessandro Boezio、Howard Bregman、Margaret Chu-Moyer、Erin F. DiMauro、Elma Feric Bojic、Robert S. Foti、Hua Gao、Russell Graceffa、Hakan Gunaydin、Angel Guzman-Perez、Hongbing Huang、Liyue Huang、Michael Jarosh、Thomas Kornecook、Charles R. Kreiman、Joseph Ligutti、Daniel S. La、Min-Hwa Jasmine Lin、Dong Liu、Bryan D. Moyer、Hanh N. Nguyen、Emily A. Peterson、Paul E. Rose、Kristin Taborn、Beth D. Youngblood、Violeta Yu、Robert T. Fremeau

  DOI：10.1021/acs.jmedchem.6b01851

  日期：2017.7.27

  Several reports have recently emerged regarding the identification of heteroarylsulfonamides as Na(V)1.7 inhibitors that demonstrate high levels of selectivity over other Na-V isoforms. The optimization of a series of internal Na(V)1.7 leads that address a number of metabolic liabilities including bioactivation, PXR activation, as well as CYP3A4 induction and inhibition led to the identification of potent and selective inhibitors that demonstrated favorable pharmacokinetic profiles and were devoid of the aforementioned liabilities. The key to achieving this within a series prone to transporter-mediated clearance was the identification of a small range of optimal cLogD values and the discovery of subtle PXR SAR that was not lipophilicity dependent. This enabled the identification of compound 20, which was advanced into a target engagement pharmacodynamic model where it exhibited robust reversal of histamine-induced scratching bouts in mice.