(R)-6-[[3-[[4-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl]amino]ethyl]phenyl]carbamoyl]phenyl]sulfonyl]-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide | 1346654-01-0

• 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: (R)-6-[[3-[[4-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl]amino]ethyl]phenyl]carbamoyl]phenyl]sulfonyl]-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide
• 英文别名: 6-[3-[[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenyl]carbamoyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide
• CAS: 1346654-01-0
• 化学式: C₄₄H₄₀N₆O₈S
• 分子量: 812.903
• InChiKey: YANXZTLDJZIJCE-LHEWISCISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  59
• 可旋转键数：
  14
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  230
• 氢给体数：
  7
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  (R)-6-[[3-[[4-[2-[[2-[8-(benzyloxy)-2-oxo-1,2-dihydroquinolin-5-yl]-2-hydroxyethyl]amino]ethyl]phenyl]carbamoyl]phenyl]sulfonyl]-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide 以 乙醇 、 四氢呋喃 、 钯 为溶剂， 以to give the title compound as a yellow solid (65 mg)的产率得到(R)-6-[[3-[[4-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl]amino]ethyl]phenyl]carbamoyl]phenyl]sulfonyl]-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide
  参考文献：
  名称：

  BI-FUNCTIONAL QUINOLINE ANALOGS

  摘要：

  提供的是I式化合物：其中R1和R2与它们所连接的苯基可以形成一个双环融合的杂环环，而其他所有变量的定义如本文所述。此外，还提供了它们用于治疗肺部炎症或支气管收缩以及包含它们的组合物和制备它们的过程。

  公开号：

  US20130012504A1

文献信息

• BI-FUNCTIONAL QUINOLINE ANALOGS
  申请人：Baker William R.

  公开号：US20110275622A1

  公开（公告）日：2011-11-10

  Provided are compounds of Formula I: wherein X is: R 1 and R 2 together with the phenyl to which they are bound may form a bicyclic, fused heterocyclic ring, and all other variables are as defined herein, as well as their use in treating pulmonary inflammation or bronchoconstriction and compositions comprising and processes for preparing the same.

  提供的是以下化合物的结构式：其中X是：R1和R2，与它们结合的苯基一起可以形成一个螺环的、融合的杂环环，所有其他变量如本文所定义，以及它们在治疗肺部炎症或支气管痉挛中的应用，以及包含它们的组合物和制备这些化合物的方法。
• US8394829B2
  申请人：——

  公开号：US8394829B2

  公开（公告）日：2013-03-12
• [EN] BIFUNCTIONAL QUINOLINE DERIVATIVES<br/>[FR] DÉRIVÉS QUINOLINIQUES BIFONCTIONNELS
  申请人：GILEAD SCIENCES INC

  公开号：WO2011143105A1

  公开（公告）日：2011-11-17

  Provided are compounds of Formula (I): Wherein X is:(Formula (II)) or (Formula (III)) R1 and R2 together with the phenyl to which they are bound may form a bicyclic, fused heterocyclic ring, and all other variables are as defined herein, as well as their use in treating pulmonary inflammation or bronchoconstriction and compositions comprising and processes for preparing the same.
• Bi-functional quinoline analogs
  申请人：Baker William R.

  公开号：US08394829B2

  公开（公告）日：2013-03-12

  Provided are compounds of Formula I: wherein X is: R1 and R2 together with the phenyl to which they are bound may form a bicyclic, fused heterocyclic ring, and all other variables are as defined herein, as well as their use in treating pulmonary inflammation or bronchoconstriction and compositions comprising and processes for preparing the same.

  提供的是I式化合物：其中X为：R1和R2与它们所结合的苯基可能形成一个双环的、融合的杂环环，所有其他变量的定义如本文所述，以及它们在治疗肺部炎症或支气管收缩以及包含它们的组合物和制备这些化合物的过程中的使用。