4-[4-(4-Fluorophenylamino)pyrimidin-2-yl-amino]-N-(1-isopropylpiperidin-4-yl)-N-methylbenzene-sulfonamide | 919834-69-8

• 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: 4-[4-(4-Fluorophenylamino)pyrimidin-2-yl-amino]-N-(1-isopropylpiperidin-4-yl)-N-methylbenzene-sulfonamide
• 英文别名: 4-[[4-(4-fluoroanilino)pyrimidin-2-yl]amino]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
• CAS: 919834-69-8
• 化学式: C₂₅H₃₁FN₆O₂S
• 分子量: 498.625
• InChiKey: AXZKQAUEOXBTRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  98.8
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4-[4-(4-fluorophenylamino)pyrimidin-2-ylamino]-N-methyl-N-piperidin-4-yl-benzenesulfonamide hydrochloride 、 丙酮 生成 4-[4-(4-Fluorophenylamino)pyrimidin-2-yl-amino]-N-(1-isopropylpiperidin-4-yl)-N-methylbenzene-sulfonamide
  参考文献：
  名称：

  Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors

  摘要：

  本公开涉及式(I)的化合物：其中R1-R5，A和Y如本公开所定义，以及包含所述化合物的组合物，制备所述化合物的方法和使用它们的方法。

  公开号：

  US20080269170A1

文献信息

• NOUVEAUX DERIVES DE 2,4-DIANILINOPYRIMIDINES, LEUR PREPARATION, A TITRE DE MEDICAMENTS, COMPOSITIONS PHARMACEUTIQUES ET NOTAMMENT COMME INHIBITEURS DE IKK
  申请人：Sanofi-Aventis

  公开号：EP1904479A2

  公开（公告）日：2008-04-02
• [EN] NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS<br/>[FR] NOUVEAUX DERIVES DE 2,4-DIANILINOPYRIMIDINES, LEUR PREPARATION, A TITRE DE MEDICAMENTS, COMPOSITIONS PHARMACEUTIQUES ET NOTAMMENT COMME INHIBITEURS DE IKK
  申请人：SANOFI AVENTIS

  公开号：WO2007006926A2

  公开（公告）日：2007-01-18

  [EN] The invention relates to products of formula (I) in which: R2, R3 and R4 represent one hydrogen and the others represent hydrogen, halogen, alkyl or alkoxy; R5 represents hydrogen or halogen; R1 represents hydrogen, cycloalkyl, alkyl, alkenyl or alkynyl, all of which being optionally substituted; A represents a single bond or -CH2-CO-NR6- with R6 being selected among the values of R1; the cycle containing Y (or (Y) cycle)) having 4 to 8 members with Y representing O, S, SO, SO2, N-R7 ((Y) cycle) that can contain a carbon bridge), C=O or the dioxolane therefor, CF2, CH-OR8, CH-NR8R9, and; R7 represents hydrogen, cycloalkyl, alkyl, CH2-alkenyl or CH2-alkynyl, all of which being optionally substituted; R8 represents hydrogen, alkyl, cycloalkyl or heterocycloalkyl, all of which being optionally substituted, these products existing in all isomeric forms and the salts. The invention also relates to the use of the aforementioned derivatives as medicaments, in particular, as IKK inhibitors.
  [FR] L'invention concerne les produits de formule (I) dans laquelle R2, R3 et R4 représentent l'un hydrogène et les autres hydrogène, halogène, alkyle ou alcoxy; R5 représente hydrogêne ou halogène; Rl représente hydrogène, cycloalkyle, alkyle, alkényle ou alkynyle, tous éventuellement substitués ; A représente simple liaison ou -CH2-CO-NR6- avec R6 est choisi parmi les valeurs de Rl; le cycle renfermant Y (ou cycle (Y) ) ayant 4 à 8 chaînons avec Y représente O, S, SO, SO2 , N-R7 (cycle (Y) pouvant renfermant un pont carboné) , C=O ou son dioxolanne, CF2 , CH-0R8, CH-NR8R9 ; et R7 représente hydrogène, cycloalkyle, alkyle, CH2 -alkényle ou CH2- alkynyle, éventuellement substitués ; R8 représente hydrogène, alkyle, cycloalkyle ou hétérocycloalkyle éventuellement substitués,- ces produits étant sous toutes les formes isomères et les sels, à titre de médicaments notamment comme inhibiteurs de IKK.
• Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors
  申请人：Bosch Michael

  公开号：US20080269170A1

  公开（公告）日：2008-10-30

  The disclosure relates to compounds of formula (I): wherein R1-R5, A and Y are as defined in the disclosure, to compositions comprising said compounds, and to processes for making and methods of using the same.

  该披露涉及到式(I)的化合物：其中R1-R5、A和Y如披露中所定义，以及包含该化合物的组合物，以及制备该化合物的方法和使用该化合物的方法。