(5-Bromo-2-methoxy-phenyl)-(4-bromo-phenyl)-methanone | 464190-37-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (5-Bromo-2-methoxy-phenyl)-(4-bromo-phenyl)-methanone
• 英文别名: (5-bromo-2-methoxyphenyl)-(4-bromophenyl)methanone
• CAS: 464190-37-2
• 化学式: C₁₄H₁₀Br₂O₂
• mdl: MFCD11545571
• 分子量: 370.04
• InChiKey: UTIKGUNHMMIAHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (5-Bromo-2-methoxy-phenyl)-(4-bromo-phenyl)-methanone 在 palladium diacetate 、 四(三苯基膦)钯 、 caesium carbonate 、 (R)-2,2'-bis(diphenylphosphanyl)-1,1'-binaphthyl 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 14.5h， 生成 [4-(2,4-Difluoro-phenylamino)-phenyl]-{5-[(E)-2-(4-hydroxy-1-methyl-piperidin-4-yl)-vinyl]-2-methoxy-phenyl}-methanone
  参考文献：
  名称：

  SAR of benzoylpyridines and benzophenones as p38α MAP kinase inhibitors with oral activity

  摘要：

  Benzoylpyridines and benzophenones were synthesized and evaluated in vitro as p38alpha inhibitors and in vivo in several models of rheumatoid arthritis. Oral activity was found to depend upon substitution: 1,1-dimethylpropynylamine substituted benzophenone 10b (IC50: 14 nM) and pyridinoyl substituted benzimidazole 17b (IC50: 21 nM) showed highest efficacy and selectivity with ED50S of 9.5 and 8.6 mg/kg po in CIA. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.111
• 作为产物：
  描述：

  5-溴-2-甲氧基苯甲醛 在 chromium(VI) oxide 、 正丁基锂 、 硫酸 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 0.25h， 生成 (5-Bromo-2-methoxy-phenyl)-(4-bromo-phenyl)-methanone
  参考文献：
  名称：

  SAR of benzoylpyridines and benzophenones as p38α MAP kinase inhibitors with oral activity

  摘要：

  Benzoylpyridines and benzophenones were synthesized and evaluated in vitro as p38alpha inhibitors and in vivo in several models of rheumatoid arthritis. Oral activity was found to depend upon substitution: 1,1-dimethylpropynylamine substituted benzophenone 10b (IC50: 14 nM) and pyridinoyl substituted benzimidazole 17b (IC50: 21 nM) showed highest efficacy and selectivity with ED50S of 9.5 and 8.6 mg/kg po in CIA. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.111

文献信息

• Hallogenated aminobenzophenones and aminobenzoylpyridines as inhibitors of il-1and tnf
  申请人：——

  公开号：US20040097731A1

  公开（公告）日：2004-05-20

  Compounds of formula I and pharmaceutically-acceptable and -cleavable esters thereof and acid addition salts thereof wherein the symbols are as defined are MAP kinase inhibitors, useful pharmaceutically for treating TNF&agr; and IL-1 mediated diseases such as rheumatoid arthritis and diseases of bone metabolism, e.g. osteoporosis.

  化合物I的公式及其药用可接受和可水解酯以及其酸加成盐，其中符号如定义的那样，是MAP激酶抑制剂，可用于药物治疗TNFα和IL-1介导的疾病，如类风湿性关节炎和骨代谢疾病，例如骨质疏松症。
• Hallogenated aminobenzophenones and aminobenzoylpyridines as inhibitors of IL-1 and TNF
  申请人：Révész Lászlo

  公开号：US06919336B2

  公开（公告）日：2005-07-19

  Compounds of formula I and pharmaceutically-acceptable and -cleavable esters thereof and acid addition salts thereof wherein the symbols are as defined are MAP kinase inhibitors, useful pharmaceutically for treating TNFα and IL-1 mediated diseases such as rheumatoid arthritis and diseases of bone metabolism, e.g. osteoporosis.

  式I化合物及其药学上可接受和可水解酯及其酸加成盐是MAP激酶抑制剂，可用于药学上治疗TNFα和IL-1介导的疾病，例如类风湿性关节炎和骨代谢疾病，如骨质疏松症。
• HALOGENATED AMINOBENZOPHENONES AND AMINOBENZOYLPYRIDINES AS INHIBITORS OF IL-1 AND TNF
  申请人：Novartis AG

  公开号：EP1379234A1

  公开（公告）日：2004-01-14
• US6919336B2
  申请人：——

  公开号：US6919336B2

  公开（公告）日：2005-07-19
• [EN] HALLOGENATED AMINOBENZOPHENONES AND AMINOBENZOYLPYRIDINES AS INHIBITORS OF IL-1 AND TNF<br/>[FR] AMINOBENZOPHENONES ET AMINOBENZOYLPYRIDINES HALOGENEES EN TANT QU'INHIBITEURS DE L'IL-1 ET DU TNF
  申请人：NOVARTIS AG

  公开号：WO2002076447A1

  公开（公告）日：2002-10-03

  Compounds of formula I and pharmaceutically-acceptable and -cleavable esters thereof and acid addition salts thereof wherein the symbols are as defined are MAP kinase inhibitors, useful pharmaceutically for treating TNFα and IL-1 mediated diseases such as rheumatoid arthritis and diseases of bone metabolism, e.g. osteoporosis.