{3-[2-(1-hydroxy-cyclohexyl)-phenylamino]-1,1-dimethyl-propyl}-carbamic acid tert-butyl ester | 861842-16-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: {3-[2-(1-hydroxy-cyclohexyl)-phenylamino]-1,1-dimethyl-propyl}-carbamic acid tert-butyl ester
• 英文别名: tert-butyl {3-[2-(1-hydroxy-cyclohexyl)-phenylamino]-1,1-dimethyl-propyl}-carbamate；Tert-butyl {3-[2-(1-hydroxycyclohexyl)phenylamino]-1,1-dimethylpropyl}carbamate；tert-butyl N-[4-[2-(1-hydroxycyclohexyl)anilino]-2-methylbutan-2-yl]carbamate
• CAS: 861842-16-2
• 化学式: C₂₂H₃₆N₂O₃
• 分子量: 376.539
• InChiKey: TVZCBVKQUUWXRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  70.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  、 1-(2-氨基苯基)环己烷-1-醇 、 (1,1-dimethyl-3-oxo-propyl)-carbamic acid tert-butyl ester 在 silica gel 作用下， 以 ethyl acetate n-hexane 为溶剂， 生成 {3-[2-(1-hydroxy-cyclohexyl)-phenylamino]-1,1-dimethyl-propyl}-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Long acting beta-2-agonists and their use as medicaments

  摘要：

  化合物的化学式为1'，其中：V是—CH2—，—NH—或—O—; Ra和Rb分别独立地为氢，C1-4-烷基或卤代-C1-4-烷基，或Ra和Rb共同构成一个C2-5-烷基桥，其中一个或多个氢原子可以被卤素取代; R1和R1'分别独立地为氢，C1-6-烷基，C3-6-环烷基，卤代-C1-6-烷基，卤代-C3-6-环烷基或C1-6-烷基-C3-6-环烷基，或R1和R1'共同构成一个C2-5-烷基桥，其中一个或多个氢原子可以被卤素取代; R2、R2'、R2"和R'"分别独立地为氢、C1-6-烷基、卤代-C1-6-烷基、OH、HO—C1-6-烷基、—O—C1-6-烷基、C6-10-芳基、C6-10-芳基-C1-4-烷基、C6-10-芳基-C1-6-烷基-O、COOH、COOC1-6-烷基、O—C1-6-烷基-COOH、O—C1-6-烷基-COOC1-6-烷基、NHSO2—C1-6-烷基、CN、NH2、NH—C1-6-烷基、N(C1-6-烷基)2、NO2、S—C1-6-烷基、SO2—C1-6-烷基、SO—C1-6-烷基、O(CO)C1-6-烷基、COC1-6-烷基、NHCOC1-6-烷基或卤素; n为0、1或2，或其光学异构体，或其与药理学上可接受的酸的相应酸加成盐的制药组合物，特别用于治疗炎症和阻塞性呼吸疾病。

  公开号：

  US20070066609A1

文献信息

• New long acting beta-2-agonists and their use as medicaments
  申请人：Bouyssou Thierry

  公开号：US20050227975A1

  公开（公告）日：2005-10-13

  The present invention relates to compounds of formula 1 wherein the groups X, R a , R b , R 1 , R 1′ , R 2 , R 2′ , R 2″ , R 2′″ , V and n may have the meanings given in the claims and in the specification, and the use thereof as pharmaceutical compositions, particularly for the treatment of inflammatory and obstructive respiratory complaints.

  本发明涉及一种式子1的化合物，其中X、Ra、Rb、R1、R1′、R2、R2′、R2″、R2′″、V和n的含义可以在权利要求书和说明书中给出，以及它们作为药物组合物的使用，特别是用于治疗炎症和阻塞性呼吸疾病。
• LONG ACTING BETA-2-AGONISTS AND THEIR USE AS MEDICAMENTS
  申请人：BOUYSSOU Thierry

  公开号：US20080194550A1

  公开（公告）日：2008-08-14

  A compound of formula 1′ wherein: V is —CH 2 —, —NH—, or —O—; R a and R b are each independently hydrogen, C 1-4 -alkyl, or halogen-C 1-4 -alkyl, or R a and R b together are a C 2-5 -alkylene bridge wherein one or more hydrogen atoms are optionally replaced by halogen; R 1 and R 1′ are each independently hydrogen, C 1-6 -alkyl, C 3-6 -cycloalkyl, halogen-C 1-6 -alkyl, halogen-C 3-6 -cycloalkyl, or C 1-6 -alkylene-C 3-6 -cycloalkyl, or R 1 and R 1′ together are a C 2-5 -alkylene bridge wherein one or more hydrogen atoms are optionally replaced by halogen; R 2 , R 2′ , R 2″ , and R 2′″ are each independently hydrogen, C 1-6 -alkyl, halogen-C 1-6 -alkylene, OH, HO—C 1-6 -alkylene, —O—C 1-6 -alkyl, C 6-10 -aryl, C 6-10 -aryl-C 1-4 -alkylene, C 6-10 -aryl-C 1-6 -alkylene-O, COOH, COOC 1-6 -alkyl, O—C 1-6 -alkylene-COOH, O—C 1-6 -alkylene-COOC 1-6 -alkyl, NHSO 2 —C 1-6 -alkyl, CN, NH 2 , NH—C 1-6 -alkyl, N(C 1-6 -alkyl) 2 , NO 2 , S—C 1-6 -alkyl, SO 2 —C 1-6 -alkyl, SO—C 1-6 -alkyl, O(CO)C 1-6 -alkyl, COC 1-6 -alkyl, NHCOC 1-6 -alkyl, or halogen; and n is 0, 1, or 2, or an optical isomer thereof, or a corresponding acid addition salt thereof with a pharmacologically acceptable acid, and the use thereof as pharmaceutical compositions, particularly for the treatment of inflammatory and obstructive respiratory complaints.

  化合物的式子为1'，其中： V为—CH2—，—NH—或—O—； Ra和Rb各自独立地为氢，C1-4-烷基，卤代-C1-4-烷基，或Ra和Rb一起为C2-5-烷基桥，其中一个或多个氢原子可以被卤素取代； R1和R1'各自独立地为氢，C1-6-烷基，C3-6-环烷基，卤代-C1-6-烷基，卤代-C3-6-环烷基，或R1和R1'一起为C2-5-烷基桥，其中一个或多个氢原子可以被卤素取代； R2，R2'，R2''和R2''各自独立地为氢，C1-6-烷基，卤代-C1-6-烷基，OH，HO—C1-6-烷基，—O—C1-6-烷基，C6-10-芳基，C6-10-芳基-C1-4-烷基，C6-10-芳基-C1-6-烷基-O，COOH，COOC1-6-烷基，O—C1-6-烷基-COOH，O—C1-6-烷基-COOC1-6-烷基，NHSO2—C1-6-烷基，CN，NH2，NH—C1-6-烷基，N(C1-6-烷基)2，NO2，S—C1-6-烷基，SO2—C1-6-烷基，SO—C1-6-烷基，O(CO)C1-6-烷基，COC1-6-烷基，NHCOC1-6-烷基或卤素；n为0、1或2，或其光学异构体，或其与药理学上可接受的酸的相应酸加合盐的用途作为药物组合物，特别用于治疗炎症和阻塞性呼吸疾病。
• Long acting β-2-agonists and their use as medicaments
  申请人：Boehringer Ingelheim International GmbH

  公开号：US07160882B2

  公开（公告）日：2007-01-09

  The present invention relates to compounds of formula 1 wherein the groups X, Ra, Rb, R1, R1′, R2, R2′, R2″, R2′″, V and n may have the meanings given in the claims and in the specification, and the use thereof as pharmaceutical compositions, particularly for the treatment of inflammatory and obstructive respiratory complaints.

  本发明涉及式1的化合物，其中X、Ra、Rb、R1、R1'、R2、R2'、R2"、R2'"、V和n的含义可以在权利要求和说明书中给出，以及将其用作制药组合物，特别是用于治疗炎症和阻塞性呼吸疾病。
• Novel combinations of medicaments for the treatment of respiratory diseases containing long-acting beta-agonists and at least one additional active ingredient
  申请人：KONETZKI Ingo

  公开号：US20070037781A1

  公开（公告）日：2007-02-15

  Disclosed are medicament combinations which contain in addition to one or more, preferably one, compound of general formula 1 wherein the groups X, R a , R b , R 1 , R 1′ , R 2 , R 2′ , R 2″ , R 2′″ , V and n may have the meanings given in the claims and in the specification, at least one other active substance 2, processes for preparing them and their use as pharmaceutical compositions.

  本发明涉及药物组合物，除了含有一个或多个通式1中的化合物，其中X、Ra、Rb、R1、R1'、R2、R2'、R2''、R2'''、V和n的含义可以在权利要求书和说明书中给出，还包含至少一种其他活性物质2，制备它们的方法以及它们作为制药组合物的用途。