4-bromo-1-(4-fluorophenyl)-6-methyl-1H-indazole | 913003-14-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-bromo-1-(4-fluorophenyl)-6-methyl-1H-indazole
• 英文别名: 1h-Indazole,4-bromo-1-(4-fluorophenyl)-6-methyl-；4-bromo-1-(4-fluorophenyl)-6-methylindazole
• CAS: 913003-14-2
• 化学式: C₁₄H₁₀BrFN₂
• 分子量: 305.149
• InChiKey: MKJXIHZIAZUKKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-bromo-1-(4-fluorophenyl)-6-methyl-1H-indazole 在 tris-(dibenzylideneacetone)dipalladium(0) 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 二苯甲酮亚胺 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 反应 27.0h， 生成
  参考文献：
  名称：

  WO2008/43789

  摘要：

  公开号：
• 作为产物：
  描述：

  2,6-dibromo-4-methylbenzaldehyde (4-fluorophenyl)hydrazone 在 tris-(dibenzylideneacetone)dipalladium(0) 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 potassium phosphate 作用下， 以 甲苯 为溶剂， 反应 16.0h， 生成 4-bromo-1-(4-fluorophenyl)-6-methyl-1H-indazole
  参考文献：
  名称：

  WO2008/43789

  摘要：

  公开号：

文献信息

• INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS
  申请人：Eldred Colin David

  公开号：US20090074675A1

  公开（公告）日：2009-03-19

  A compound of formula (I): wherein A 1 represents 2,3-dihydro-1-benzofuran-7-yl, 5-fluoro-2-methoxy-phenyl or 5-fluoro-2-hydroxy-phenyl; X represents —C(R 3 )— or nitrogen; when X represents —C(R 3 )—, R 2 represents hydrogen and R 1 represents fluorine, R 3 represents hydrogen or fluorine, when X represents —C(R 3 )— and R 2 and R 1 each represent hydrogen, R 3 represents hydrogen, hydroxy, methoxy or fluorine, when X represents —C(R 3 )— and R 2 represents hydroxy, methoxy, —CO 2 CH 3 or —CO 2 CH 2 CH 3 , R 1 and R 3 each represent hydrogen, when X represents nitrogen, R 1 and R 2 each represent hydrogen; and Y represents H or methyl; or a physiologically functional derivative thereof.

  化合物公式（I）：其中A1代表2,3-二氢-1-苯并呋喃-7-基，5-氟-2-甲氧基苯基或5-氟-2-羟基苯基；X代表- C（R3）-或氮；当X代表- C（R3）-时，R2代表氢，R1代表氟，R3代表氢或氟；当X代表- C（R3）-且R2和R1均代表氢时，R3代表氢、羟基、甲氧基或氟；当X代表- C（R3）-且R2代表羟基、甲氧基、- CO2CH3或- CO2CH2CH3时，R1和R3均代表氢；当X代表氮时，R1和R2均代表氢；Y代表H或甲基；或其生理学上的功能衍生物。
• NOVEL COMPOUNDS
  申请人：Biggadike Keith

  公开号：US20100120883A1

  公开（公告）日：2010-05-13

  The present invention provides compounds of formula (I): a process for their preparation, pharmaceutical compositions comprising the compounds and the preparation of said compositions, intermediates and use of the compounds for the manufacture of a medicament for therapeutic treatment, particularly for the treatment of inflammation, allergy and/or skin disease.

  本发明提供了式(I)的化合物，其制备方法，包含该化合物的药物组合物及其制备方法，中间体以及利用该化合物制备治疗药物，特别是用于治疗炎症、过敏和/或皮肤疾病。
• Indazoles as glucocorticoid receptor ligands
  申请人：Glaxo Group Limited

  公开号：US08093281B2

  公开（公告）日：2012-01-10

  A compound of formula (I): wherein A1 represents 2,3-dihydro-1-benzofuran-7-yl, 5-fluoro-2-methoxy-phenyl or 5-fluoro-2-hydroxy-phenyl; X represents —C(R3)— or nitrogen; when X represents —C(R3)—, R2 represents hydrogen and R1 represents fluorine, R3 represents hydrogen or fluorine, when X represents —C(R3)— and R2 and R1 each represent hydrogen, R3 represents hydrogen, hydroxy, methoxy or fluorine, when X represents —C(R3)— and R2 represents hydroxy, methoxy, —CO2CH3 or —CO2CH2CH3, R1 and R3 each represent hydrogen, when X represents nitrogen, R1 and R2 each represent hydrogen; and Y represents H or methyl; or a physiologically functional derivative thereof.

  化合物式(I)：其中A1代表2,3-二氢-1-苯并呋喃-7-基，5-氟-2-甲氧基苯基或5-氟-2-羟基苯基；X代表—C(R3)—或氮；当X代表—C(R3)—时，R2代表氢，R1代表氟，R3代表氢或氟；当X代表—C(R3)—且R2和R1均代表氢时，R3代表氢、羟基、甲氧基或氟；当X代表—C(R3)—且R2代表羟基、甲氧基、—CO2CH3或—CO2CH2CH3，R1和R3均代表氢；当X代表氮时，R1和R2均代表氢；Y代表H或甲基；或其生理学功能衍生物。
• Highly tractable, sub-nanomolar non-steroidal glucocorticoid receptor agonists
  作者：Keith Biggadike、Matilde Caivano、Margaret Clackers、Diane M. Coe、George W. Hardy、Davina Humphreys、Haydn T. Jones、David House、Annette Miles-Williams、Philip A. Skone、Iain Uings、Vicki Weller、Iain M. McLay、Simon J.F. Macdonald

  DOI：10.1016/j.bmcl.2009.06.020

  日期：2009.8

  Starting from a non-steroidal glucocorticoid agonist aryl pyrazole derivative, the NF kappa B agonist activity was optimised in an iterative process from pIC(50) 7.5 (for 7), to pIC(50) 10.1 (for 38E1). An explanation for the SAR observed based is presented along with a proposed docking of 38E1 into the active site of the glucocorticoid receptor. (C) 2009 Elsevier Ltd. All rights reserved.
• US7947727B2
  申请人：——

  公开号：US7947727B2

  公开（公告）日：2011-05-24