4-bromo-2-(3-methoxypropoxy)aniline

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-bromo-2-(3-methoxypropoxy)aniline
• 化学式: C₁₀H₁₄BrNO₂
• 分子量: 260.131
• InChiKey: XIAWYNLOLJXHJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  44.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-bromo-2-(3-methoxypropoxy)aniline 在 sodium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 、 sodium t-butanolate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 生成 1-(4-(dibenzylamino)-3-(3-methoxypropoxy)phenyl)-3-methylbutan-2-one
  参考文献：
  名称：

  [EN] FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE
  [FR] COMPOSÉS TRYCICLIQUES CONDENSÉS ET UTILISATIONS CORRESPONDANTES EN MÉDECINE

  摘要：

  本发明涉及一种融合三环化合物及其作为药物的用途，特别是作为治疗和/或预防乙型肝炎的药物。具体地，本发明涉及具有化学式（I）或其立体异构体、互变异构体、N-氧化物、溶剂合物、代谢物、药学上可接受的盐或其前药的化合物，其中每个变量如规范中所定义。本发明还涉及将具有化学式（I）或其立体异构体、互变异构体、N-氧化物、溶剂合物、代谢物、药学上可接受的盐或其前药用作药物，特别是作为治疗和/或预防乙型肝炎的药物。

  公开号：

  WO2018219356A1
• 作为产物：
  描述：

  2-硝基-5-溴苯酚 在 铁粉 、 potassium carbonate 、 氯化铵 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.67h， 生成 4-bromo-2-(3-methoxypropoxy)aniline
  参考文献：
  名称：

  [EN] FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE
  [FR] COMPOSÉS TRYCICLIQUES CONDENSÉS ET UTILISATIONS CORRESPONDANTES EN MÉDECINE

  摘要：

  本发明涉及一种融合三环化合物及其作为药物的用途，特别是作为治疗和/或预防乙型肝炎的药物。具体地，本发明涉及具有化学式（I）或其立体异构体、互变异构体、N-氧化物、溶剂合物、代谢物、药学上可接受的盐或其前药的化合物，其中每个变量如规范中所定义。本发明还涉及将具有化学式（I）或其立体异构体、互变异构体、N-氧化物、溶剂合物、代谢物、药学上可接受的盐或其前药用作药物，特别是作为治疗和/或预防乙型肝炎的药物。

  公开号：

  WO2018219356A1

文献信息

• Organic compounds
  申请人：Novartis AG

  公开号：EP2177518A1

  公开（公告）日：2010-04-21

  3,4-substituted piperidine compounds, these compounds for use in the diagnostic and therapeutic treatment of a warm-blooded animal, especially for the treatment of a disease (= disorder) that depends on activity of renin; the use of a compound of that class for the preparation of a pharmaceutical formulation for the treatment of a disease that depends on activity of renin; the use of a compound of that class in the treatment of a disease that depends on activity of renin; pharmaceutical formulations comprising a 3,4-substituted piperidine compound, and/or a method of treatment comprising administering a 3,4-substituted piperidine compound, a method for the manufacture of a 3,4-substituted piperidine compound, and novel intermediates and partial steps for their synthesis are disclosed. The 3,4-disubstituted piperidine compounds have the formula I, wherein the symbols have the meanings defined in the specification.

  3,4-取代的哌啶化合物，这些化合物用于温血动物的诊断和治疗，特别是用于治疗依赖于肾素活性的疾病（=失调）；该类化合物用于制备治疗依赖于肾素活性的疾病的药物制剂；公开了该类化合物在治疗依赖肾素活性的疾病中的用途；包含3,4-取代的哌啶化合物的药物制剂，和/或包括施用3,4-取代的哌啶化合物的治疗方法，3,4-取代的哌啶化合物的制造方法，以及新型中间体及其合成的部分步骤。3,4-二取代哌啶化合物具有式 I、 其中符号具有本说明书中定义的含义。
• 3 , 5-substitued piperidine compounds as renin inhibitors
  申请人：Novartis AG

  公开号：EP2420491A1

  公开（公告）日：2012-02-22

  The invention relates to 3,5-substituted piperidine compounds, these compounds for use in the diagnostic and therapeutic treatment of a warm-blooded animal, especially for the treatment of a disease (= disorder) that depends on activity of renin; the use of a compound of that class for the preparation of a pharmaceutical formulation for the treatment of a disease that depends on activity of renin; the use of a compound of that class in the treatment of a disease that depends on activity of renin; pharmaceutical formulations comprising a 3,5-substituted piperidine compound, and/or a method of treatment comprising administering a 3,5-substituted piperidine compound, a method for the manufacture of a 3, 5-substituted piperidine compound, and novel intermediates and partial steps for its synthesis. The compounds (which can also be present as salts) have the formula I' wherein R1, R2, T, R3, R4, R7 and R8 are as defined in the specification and R6 is OH.

  本发明涉及3,5-取代的哌啶化合物，这些化合物用于温血动物的诊断和治疗，特别是用于治疗依赖于肾素活性的疾病（=紊乱）；使用该类化合物制备药物制剂，用于治疗依赖于肾素活性的疾病；该类化合物在治疗依赖于肾素活性的疾病中的用途；包含 3,5-取代的哌啶化合物的药物制剂，和/或包括施用 3,5-取代的哌啶化合物的治疗方法，3,5-取代的哌啶化合物的制造方法，及其合成的新型中间体和部分步骤。 这些化合物（也可以以盐的形式存在）具有式 I' 其中 R1、R2、T、R3、R4、R7 和 R8 如说明书中所定义，R6 为 OH。
• Fused tricyclic compounds and uses thereof in medicine
  申请人：SUNSHINE LAKE PHARMA CO., LTD.

  公开号：US10966970B2

  公开（公告）日：2021-04-06

  A fused tricyclic compound and use thereof as a medicament, in particular as a medicament for the treatment and/or prevention of hepatitis B. Specifically, a compound having Formula (I) or a stereoisomer, a tautomer, an N-oxide, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof, wherein each variate is as defined in specification. The compound also includes a Formula (I) or a stereoisomer, a tautomer, an N-oxide, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof as a medicament, especially as a medicament for the treatment and/or prevention of hepatitis B.

  具体地说，一种具有式(I)或其立体异构体、同分异构体、N-氧化物、溶解物、代谢物、药学上可接受的盐或原药的化合物，其中各变体如说明书中所定义。该化合物还包括式（I）或其立体异构体、同分异构体、N-氧化物、溶解物、代谢物、药学上可接受的盐或原药，可作为药物，特别是作为治疗和/或预防乙型肝炎的药物。
• SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS
  申请人：Novartis AG

  公开号：EP1833816B1

  公开（公告）日：2009-11-11
• FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE
  申请人：SUNSHINE LAKE PHARMA CO., LTD.

  公开号：US20200113879A1

  公开（公告）日：2020-04-16

  A fused tricyclic compound and use thereof as a medicament, in particular as a medicament for the treatment and/or prevention of hepatitis B. Specifically, a compound having Formula (I) or a stereoisomer, a tautomer, an N-oxide, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof, wherein each variate is as defined in specification. The compound also includes a Formula (I) or a stereoisomer, a tautomer, an N-oxide, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof as a medicament, especially as a medicament for the treatment and/or prevention of hepatitis B.