N-[3-(4-{[6-({(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)hexyl]oxy}butyl)-5-methylphenyl]urea | 594862-15-4

• 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: N-[3-(4-{[6-({(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)hexyl]oxy}butyl)-5-methylphenyl]urea
• 英文别名: [3-(4-{6-[(2R)-2-hydroxy-2-(4-hydroxy-3-hydroxymethyl-phenyl)-ethylamino]-hexyloxy}-butyl)-5-methyl-phenyl]-urea；[3-[4-[6-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]hexoxy]butyl]-5-methylphenyl]urea
• CAS: 594862-15-4
• 化学式: C₂₇H₄₁N₃O₅
• 分子量: 487.64
• InChiKey: DBESJEGRRAZRSW-SANMLTNESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  35
• 可旋转键数：
  17
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  137
• 氢给体数：
  6
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-[3-(4-{[6-({(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)hexyl]oxy}butyl)-5-methylphenyl]urea 、 1-萘甲酸 以 乙醇 为溶剂， 生成 N-[3-(4-{[6-({(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)hexyl]oxy}butyl)-5-methylphenyl]urea 1-naphthoate
  参考文献：
  名称：

  [EN] PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES
  [FR] DERIVES DE PHENETHANOLAMINE POUR TRAITER DES MALADIES RESPIRATOIRES

  摘要：

  本发明涉及式（I）的新化合物，涉及其制备方法，含有它们的药物组合物，以及它们在治疗中的应用，特别是在预防和治疗呼吸道疾病中的应用。

  公开号：

  WO2003072539A1
• 作为产物：
  描述：

  N-[3-(4-{[6-(benzyl{(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)hexyl]oxy}butyl)-5-methylphenyl]urea 在 palladium 10% on activated carbon 氢气 作用下， 以 乙醇 为溶剂， 反应 16.0h， 生成 N-[3-(4-{[6-({(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)hexyl]oxy}butyl)-5-methylphenyl]urea
  参考文献：
  名称：

  [EN] PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES
  [FR] DERIVES DE PHENETHANOLAMINE POUR TRAITER DES MALADIES RESPIRATOIRES

  摘要：

  本发明涉及式（I）的新化合物，涉及其制备方法，含有它们的药物组合物，以及它们在治疗中的应用，特别是在预防和治疗呼吸道疾病中的应用。

  公开号：

  WO2003072539A1

文献信息

• SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS
  申请人：Dahmann Georg

  公开号：US20130023502A1

  公开（公告）日：2013-01-24

  The invention relates to new substituted pyridinyl-pyrimidines of formula 1 wherein ring A is a five-membered saturated or unsaturated carbocyclic ring which optionally comprises one, two or three heteroatoms each independently from each other selected from the group N, S and O, wherein R 1 , R 2 , R 4 , R 3 , R 5 and R 6 are defined as in claim 1 and wherein ring A is further optionally substituted by one or two further substituents and the pharmaceutically acceptable salts, diastereomers, enantiomers, racemates, hydrates and solvates of the aforementioned compounds.

  该发明涉及公式1中的新取代吡啶基嘧啶化合物， 其中环A是一个含有五个成员的饱和或不饱和碳环，该环可选地包含一个、两个或三个异原子，每个异原子独立地选自N、S和O组成， 其中R1、R2、R4、R3、R5和R6如权利要求书中所定义，并且环A进一步可选地被一个或两个进一步取代基取代，以及上述化合物的药用盐、二对映体、对映体、消旋体、水合物和溶剂化合物。
• NEW COMPOUNDS
  申请人：HAUEL Norbert

  公开号：US20100240669A1

  公开（公告）日：2010-09-23

  The present invention relates to the compounds of general formula I wherein n, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 and X are defined as described hereinafter, the enantiomers, the diastereomers, the mixtures and the salts thereof, particularly the physiologically acceptable salts thereof with organic or inorganic acids or bases, which have valuable properties, the preparation thereof, the medicaments containing the pharmacologically effective compounds, the preparation thereof and the use thereof.

  本发明涉及一般式I的化合物，其中n、R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11和X的定义如下所述，其对映体、非对映体、混合物及其盐，特别是其与有机或无机酸或碱形成的生理上可接受的盐，具有有价值的性质，其制备方法，含有药理学有效化合物的药物，其制备方法和用途。
• [EN] SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS<br/>[FR] PYRIDINYL-PYRIMIDINES SUBSTITUÉES ET LEUR UTILISATION EN TANT QUE MÉDICAMENTS
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2012101013A1

  公开（公告）日：2012-08-02

  The invention relates to new substituted pyridinyl-pyrimidines of formula 1 wherein ring A is a five-membered saturated or unsaturated carbocyclic ring which optionally comprises one, two or three heteroatoms each independently from each other selected from the group N, S and O, wherein R1, R2, R4, R3, R5 and R6 are defined as in claim 1 and wherein ring A is further optionally substituted by one or two further substituents and the pharmaceutically acceptable salts, diastereomers, enantiomers, racemates, hydrates and solvates of the aforementioned compounds.

  该发明涉及公式1中的新取代吡啶基嘧啶，其中环A是一个五元饱和或不饱和碳环，可选地包含一个、两个或三个异原子，每个异原子独立地选自N、S和O组，其中R1、R2、R4、R3、R5和R6如权利要求1中所定义，环A进一步可选地被一个或两个进一步取代基取代，以及上述化合物的药学上可接受的盐、二对映体、对映体、消旋体、水合物和溶剂化合物。
• [EN] SUBSTITUTED QUINOLINES AND THEIR USE AS MEDICAMENTS<br/>[FR] QUINOLÉINES SUBSTITUÉES ET LEUR UTILISATION COMME MÉDICAMENTS
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2013014060A1

  公开（公告）日：2013-01-31

  The invention relates to new substituted quinolines of formula (1) wherein R1 is a linear or branched C1-6-alkyl, wherein R1 may optionally be substituted by R3 which is selected from the group consisting of a three-, four-, five-, six- or seven-membered cycloalkl; a five-, six- or seven-membered, saturated heterocycle comprising one, two or three heteroatoms each independently selected from the group consisting of N, S and O; and a five- or six-membered heteroaryl comprising one, two or three heteroatoms each independently selected from the group consisting of N, S and O; wherein R3 may optionally be substituted further substituted as defined in claim 1 and wherein R2 is selected from the group consisting of halogen, phenyl, a five- or six-membered monocyclic heteroaryl comprising one, two or three heteroatoms each independently selected from the group consisting of N, S and O; a bicyclic, nine-, ten- or eleven-membered, either aromatic or non-aromatic, but not fully saturated heterocycle comprising one, two, three or four heteroatoms each independently selected from the group consisting of N, S and O; wherein R2 may optionally be further substituted as defined in claim 1, and their use in the preparation of medicaments for the treatment of disease such as asthma, COPD, allergic rhinitis, allergic dermatitis and rheumatoid arthritis.

  该发明涉及公式（1）中的新取代喹啉，其中R1是直链或支链的C1-6-烷基，其中R1可以选择性地被R3取代，R3选自以下组：三、四、五、六或七元环烷基；含有一个、两个或三个异原子（分别独立地选自N、S和O）的五、六或七元饱和杂环；含有一个、两个或三个异原子（分别独立地选自N、S和O）的五元或六元杂芳基；其中R3可以选择性地进一步取代，如权利要求书中所定义，R2选自以下组：卤素、苯基、含有一个、两个或三个异原子（分别独立地选自N、S和O）的五元或六元单环杂芳基；含有一个、两个、三或四个异原子（分别独立地选自N、S和O）的九、十或十一元双环芳香或非芳香但不完全饱和杂环；其中R2可以选择性地进一步取代，如权利要求书中所定义，并且它们在制备用于治疗哮喘、慢性阻塞性肺病、过敏性鼻炎、过敏性皮炎和类风湿性关节炎等疾病的药物中的用途。
• Substituted Quinolines and Their Use As Medicaments
  申请人：HOFFMANN Matthias

  公开号：US20130029949A1

  公开（公告）日：2013-01-31

  Disclosed are substituted quinolines of formula 1 wherein R 1 and R 2 are defined herein, the processing of making and using the same.

  揭示了公式1的取代喹啉，其中R1和R2在此处定义，以及制备和使用它们的方法。