(R,S)-N-{3-[2-({6-[5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexyl}oxy)-1,1-difluoroethyl]phenyl}urea | 915133-46-9

• 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,S)-N-{3-[2-({6-[5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexyl}oxy)-1,1-difluoroethyl]phenyl}urea
• 英文别名: [3-[2-[6-[5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexoxy]-1,1-difluoroethyl]phenyl]urea
• CAS: 915133-46-9
• 化学式: C₂₈H₃₅F₂N₃O₆
• 分子量: 547.599
• InChiKey: UEQPFDNXOKNCRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  39
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (R,S)-3-{6-[2-(3-bromophenyl)-2,2-difluoroethoxy]hexyl}-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one 在 tris-(dibenzylideneacetone)dipalladium(0) 、 三叔丁基膦 水 、 溶剂黄146 、 lithium hexamethyldisilazane 作用下， 以 正己烷 、 甲苯 为溶剂， 生成 (R,S)-N-{3-[2-({6-[5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexyl}oxy)-1,1-difluoroethyl]phenyl}urea
  参考文献：
  名称：

  WO2006/122788

  摘要：

  公开号：

文献信息

• Derivatives of 4-(2-amino -1-hydroxyethyl)phenol as agonists of the Beta2 adrenergic receptor
  申请人：Duran Carlos Puig

  公开号：US20090042933A1

  公开（公告）日：2009-02-12

  A compound of formula (I) or a pharmaceutically-acceptable salt, solvate or stereoisomer thereof wherein R 1 is a group chosen from —CH 2 OH and —NHC(O)H; R 2 is a hydrogen atom or R 1 together with R 2 form the group —NH—C(O)—CH═CH—, wherein the nitrogen atom is bound to the carbon atom in the phenyl ring holding R 1 and the carbon atom is bound to the carbon atom in the phenyl ring holding R 2 ; R 3 is chosen from a hydrogen atom, a halogen atom and groups chosen from —SO—R 5 , —SO 2 —R 5 , —NH—CO—NH 2 , —CO—NH 2 , hydantoino, C 1-4 alkyl, C 1-4 alkoxy and —SO 2 NR 5 R 6 ; R 4 is chosen from a hydrogen atom, a halogen atom and a C 1-4 alkyl group; R 5 is chosen from a C 1-4 alkyl group and a C 3-8 cycloalkyl group; R 6 is independently chosen from a hydrogen atom and a C 1-4 alkyl group; n, p and q are independently 0, 1, 2, 3 or 4; m and s are independently 0, 1, 2 or 3; and r is 0, 1 or 2 with the provisos that at least one of m and r is not 0, the sum n+m+p+q+r+s is 7, 8, 9, 10, 11, 12 or 13, and the sum q+r+s is 2, 3, 4, 5 or 6.

  化合物的化学式（I）或其药学上可接受的盐、溶剂化合物或立体异构体，其中R1是从—CH2OH和—NHC（O）H中选择的基团；R2是氢原子或R1与R2一起形成—NH—C（O）—CH═CH—的基团，其中氮原子与持有R1的苯环中的碳原子结合，碳原子与持有R2的苯环中的碳原子结合；R3从氢原子、卤原子和从—SO—R5、—SO2—R5、—NH—CO—NH2、—CO—NH2、hydantoino、C1-4烷基、C1-4烷氧基和—SO2NR5R6中选择的基团；R4从氢原子、卤原子和C1-4烷基中选择；R5从C1-4烷基和C3-8环烷基中选择；R6独立选择从氢原子和C1-4烷基中选择；n、p和q独立选择0、1、2、3或4；m和s独立选择0、1、2或3；r为0、1或2，但至少有一个m和r不为0，n+m+p+q+r+s之和为7、8、9、10、11、12或13，且q+r+s之和为2、3、4、5或6。
• Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 Adrenergic Receptor
  申请人：PUIG DURAN Carlos

  公开号：US20120101075A2

  公开（公告）日：2012-04-26

  The present disclosure relates to 4-(2-amino-1-hydroxyethyl)phenol derivatives of formula (I) as well as pharmaceutical compositions comprising them, and their use in therapy as agonists of the BETA2 adrenergic receptor.

  本公开涉及式(I)的4-(2-氨基-1-羟乙基)苯酚衍生物，以及包含它们的药物组合物，以及它们作为BETA2肾上腺素能受体激动剂在治疗中的使用。
• DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR
  申请人：PUIG DURAN Carlos

  公开号：US20110251165A1

  公开（公告）日：2011-10-13

  The present invention provides a compound of formula (I) wherein: R 1 is a group selected from —CH 2 OH, —NHC(O)H and R 2 is a hydrogen atom; or R 1 together with R 2 form the group —NH—C(O)—CH═CH— wherein the nitrogen atom is bound to the carbon atom in the phenyl ring holding R 1 and the carbon atom is bound to the carbon atom in the phenyl ring holding R 2 ; R 3 is selected from hydrogen and halogen atoms or groups selected from —SO—R 5 , —SO 2 —R 5 , —NH—CO—NH 2 , —CO—NH 2 , hydantoino, C 1-4 alkyl, C 1-4 alkoxy and —SO 2 NR 5 R 6 ; R 4 is selected from hydrogen atoms, halogen atoms and C 1-4 alkyl groups; R 5 is a C 1-4 alkyl group or C 3-8 cycloalkyl; R 6 is independently selected from hydrogen atoms and C 1-4 alkyl groups; n, p and q are independently 0, 1, 2, 3 or 4; m and s are independently 0, 1, 2 or 3; r is 0, 1 or 2; with the provisos that at least one of m and r is not 0; the sum n+n+p+q+r+s is 7, 8, 9, 10, 11, 12 or 13; the sum q+r+s is 2, 3, 4, 5 or 6 or a pharmaceutically-acceptable salt, solvate or stereoisomer thereof.

  本发明提供了化合物(I)的公式，其中：R1是从—CH2OH，—NHC（O）H和R2是氢原子中选择的一个基团;或者R1与R2一起形成—NH—C（O）—CH═CH—基团，其中氮原子与持有R1的苯环中的碳原子结合，碳原子与持有R2的苯环中的碳原子结合; R3从氢原子和卤原子或从—SO—R5，—SO2—R5，—NH—CO—NH2，—CO—NH2，海因酸，C1-4烷基，C1-4烷氧基和—SO2NR5R6中选择的基团中选择; R4从氢原子，卤原子和C1-4烷基基团中选择; R5是C1-4烷基或C3-8环烷基; R6是独立选择的氢原子和C1-4烷基基团; n，p和q独立选择为0，1，2，3或4; m和s独立选择为0，1，2或3; r为0，1或2; 其中至少一个m和r不为0; n + n + p + q + r + s之和为7，8，9，10，11，12或13; q + r + s之和为2，3，4，5或6或其药学上可接受的盐，溶剂或立体异构体。
• Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 AdrenergicReceptor
  申请人：PUIG DURAN Carlos

  公开号：US20120115826A2

  公开（公告）日：2012-05-10

  The present disclosure relates to 4-(2-amino-1-hydroxyethyl)phenol derivatives of formula (I) as well as pharmaceutical compositions comprising them, and their use in therapy as agonists of the BETA2 adrenergic receptor.

  本公开涉及式(I)的4-(2-氨基-1-羟乙基)苯酚衍生物，以及包含它们的制药组合物，以及它们作为BETA2肾上腺素能受体激动剂在治疗中的使用。
• Derivatives of 4-(2-amino-1-hydroxyethyl) phenol as agonists of the beta2 adrenergic receptor
  申请人：Almirall S.A.

  公开号：EP2263998A1

  公开（公告）日：2010-12-22

  The present invention provides a compound of formula (I): wherein: • R1 is a group selected from -CH2OH, -NHC(O)H and • R2 is a hydrogen atom; or • R1 together with R2 form the group -NH-C(O)-CH=CH- wherein the nitrogen atom is bound to the carbon atom in the phenyl ring holding R1 and the carbon atom is bound to the carbon atom in the phenyl ring holding R2 • R3 is selected from hydrogen and halogen atoms or groups selected from -SO-R5, -SO2-R5, -NH-CO-NH2, -CO-NH2, hydantoino, C1-4alkyl, C1-4alkoxy and -SO2NR5R6 • R4 is selected from hydrogen atoms, halogen atoms and C1-4alkyl groups • R5 is a C1-4alkyl group or C3-8 cycloalkyl • R6 is independently selected from hydrogen atoms and C1-4alkyl groups • n, p and q are independently 0, 1, 2, 3 or 4 • m and s are independently 0, 1, 2 or 3 • r is 0, 1 or 2 with the provisos that: • at least one of m and r is not 0 • the sum n+m+p+q+r+s is 7, 8, 9, 10, 11, 12 or 13 • the sum q+r+s is 2, 3, 4, 5 or 6 or a pharmaceutically-acceptable salt, solvate or stereoisomer thereof.

  本发明提供了一种式 (I) 的化合物： 其中 - R1 是选自-CH2OH、-NHC(O)H 的基团，以及 - R2 是氢原子；或 - R1与R2一起形成基团-NH-C(O)-CH=CH-，其中氮原子与持R1的苯环中的碳原子结合，碳原子与持R2的苯环中的碳原子结合 - R3 选自氢和卤素原子或选自-SO-R5、-SO2-R5、-NH-CO-NH2、-CO-NH2、海因硫基、C1-4烷基、C1-4烷氧基和-SO2NR5R6 的基团 - R4 选自氢原子、卤素原子和 C1-4 烷基 - R5 是 C1-4 烷基或 C3-8 环烷基 - R6 独立地选自氢原子和 C1-4 烷基 - n、p 和 q 独立地为 0、1、2、3 或 4 - m和s独立地为0、1、2或3 - r 是 0、1 或 2 但条件是 - m 和 r 中至少有一个不为 0 - n+m+p+q+r+s 的总和为 7、8、9、10、11、12 或 13 - q+r+s 的和为 2、3、4、5 或 6 或其药学上可接受的盐、溶液或立体异构体。