4-溴-5-氯-2-硝基-苯酚 | 65001-78-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 4-溴-5-氯-2-硝基-苯酚
• 英文名称: 4-bromo-5-chloro-2-nitrophenol
• 英文别名: 4-Brom-5-chlor-2-nitro-phenol；5-Chlor-4-brom-2-nitro-1-hydroxy-benzol
• CAS: 65001-78-7
• 化学式: C₆H₃BrClNO₃
• 分子量: 252.452
• InChiKey: FDHXSXGNKTYRRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-溴-5-氯-2-硝基-苯酚 在 4-二甲氨基吡啶 、 methanesulfonato 2-di-cyclohexylphosphino-2-(N,N-dimethylamino)biphenyl(2′-amino-1,1′-biphenyl-2-yl) palladium-(II) 、 铁粉 、 potassium carbonate 、 溶剂黄146 、 1-丙基磷酸酐 、 N,N-二异丙基乙胺 、 三氟乙酸 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 乙酸丁酯 、 水 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 53.5h， 生成 2-(7-chloro-6-isobutyl-4-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)-3,4-di-hydro-2H-benzo[b][1,4]oxazin-3-yl)acetic acid
  参考文献：
  名称：

  Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection

  摘要：

  The mechanism-based risk for hyperkalemia has limited the use of mineralocorticoid receptor antagonists (MRAs) like eplerenone in cardio-renal diseases. Here, we describe the structure and property-driven lead generation and optimization, which resulted in identification of MR modulators (S)-1 and (S)-33. Both compounds were partial MRAs but still demonstrated equally efficacious organ protection as eplerenone after 4 weeks of treatment in uni-nephrectomized rats on high-salt diet and aldosterone infusion. Importantly, and in sharp contrast to eplerenone, this was achieved without substantial changes to the urine Na+/K+ ratio after acute treatment in rat, which predicts a reduced risk for hyperkalemia. This work led to selection of (S)-1 (AZD9977) as the clinical candidate for treating MR-mediated cardio-renal diseases, including chronic kidney disease and heart failure. On the basis of our findings, we propose an empirical model for prediction of compounds with low risk of affecting the urinary Na+/K+ ratio in vivo.

  DOI：

  10.1021/acs.jmedchem.8b01523
• 作为产物：
  描述：

  2-硝基-5-氯苯酚 在 1-benzyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide 、 calcium carbonate 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以85%的产率得到4-溴-5-氯-2-硝基-苯酚
  参考文献：
  名称：

  Hajipour, Abdol R.; Pourmousavi, Seied A.; Ruoho, Arnold E., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2006, vol. 45, # 3, p. 796 - 800

  摘要：

  DOI：

文献信息

• [EN] ARYL DIHYDRO-2H-BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE<br/>[FR] ARYL DIHYDRO-2H-BENZO[B][1,4]OXAZINE SULFONAMIDE ET COMPOSÉS APPARENTÉS DESTINÉS À ÊTRE UTILISÉS COMME AGONISTES DE RORΓ ET POUR LE TRAITEMENT DE MALADIES
  申请人：LYCERA CORP

  公开号：WO2016201225A1

  公开（公告）日：2016-12-15

  The invention provides aryl dihydro-2H-benzo[b] [l,4]oxazine sulfonamide and related compounds, pharmaceutical compositions, methods of promoting RORy activity, methods of increasing the amount of IL-17 in a subject, and methods of treating cancer and other medical disorders using such compounds.

  这项发明提供了芳基二氢-2H-苯并[b][1,4]噁嗪磺胺和相关化合物、药物组合物、促进RORγ活性的方法、增加受试者体内IL-17含量的方法，以及利用这些化合物治疗癌症和其他医学疾病的方法。
• SUBSTITUTED PHENYLPROPENYL PYRIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL APPLICATIONS
  申请人：SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD.

  公开号：US20210386721A1

  公开（公告）日：2021-12-16

  Disclosed are a substituted phenylpropenylpyridine derivative, a preparation method therefor and the use thereof as a PD-1/PD-L1 inhibitor. In particular, disclosed are a compound of formula (I) or a pharmaceutically acceptable salt, stereoisomer, solvate, or prodrug thereof, a preparation method therefor and the use thereof. The definition of each group in the formula is detailed in the description and claims.

  揭示了一种取代苯丙烯基吡啶衍生物，其制备方法以及其作为PD-1/PD-L1抑制剂的用途。具体地，揭示了一种符合式(I)的化合物或其药用可接受的盐、立体异构体、溶剂合物或前药，以及其制备方法和用途。公式中每个基团的定义在描述和权利要求中详细说明。
• Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease
  申请人：Lycera Corporation

  公开号：US10364237B2

  公开（公告）日：2019-07-30

  The invention provides tetrahydroquinoline sulfonamide compounds, tetrahydronaphthalene sulfonyl compounds, and related compounds, pharmaceutical compositions, methods of promoting RORy activity, methods of increasing the amount of IL-17 in a subject, and methods of treating cancer and other medical disorders using such compounds.

  本发明提供了四氢喹啉磺酰胺化合物、四氢萘磺酸化合物和相关化合物、药物组合物、促进RORy活性的方法、增加受试者体内IL-17含量的方法，以及使用此类化合物治疗癌症和其他疾病的方法。
• Aryl dihydro-2H-benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease
  申请人：Lycera Corporation

  公开号：US10611740B2

  公开（公告）日：2020-04-07

  The invention provides aryl dihydro-2H-benzo[b] [1,4]oxazine sulfonamide and related compounds, pharmaceutical compositions, methods of promoting RORy activity, methods of increasing the amount of IL-17 in a subject, and methods of treating cancer and other medical disorders using such compounds.

  本发明提供了芳基二氢-2H-苯并[b][1,4]恶嗪磺酰胺及相关化合物、药物组合物、促进 RORy 活性的方法、增加受试者体内 IL-17 数量的方法以及使用此类化合物治疗癌症和其他疾病的方法。
• Aryl dihydro-2H benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease
  申请人：The Regents of the University of Michigan

  公开号：US11059796B2

  公开（公告）日：2021-07-13

  The invention provides aryl dihydro-2H-benzo[b][1,4]oxazine sulfonamide and related compounds, pharmaceutical compositions, methods of promoting RORγ activity, methods of increasing the amount of IL-17 in a subject, and methods of treating cancer and other medical disorders using such compounds.

  本发明提供了芳基二氢-2H-苯并[b][1,4]恶嗪磺酰胺及相关化合物、药物组合物、促进 RORγ 活性的方法、增加受试者体内 IL-17 数量的方法以及使用此类化合物治疗癌症和其他疾病的方法。