[{(3,4-Dimethoxy-phenyl)-[2-(4-trifluoromethyl-phenyl)-ethyl]-carbamoyl}-(2methoxyphenyl)-methyl]-carbamic acid tert-butyl ester | 1111734-24-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [{(3,4-Dimethoxy-phenyl)-[2-(4-trifluoromethyl-phenyl)-ethyl]-carbamoyl}-(2methoxyphenyl)-methyl]-carbamic acid tert-butyl ester
• 英文别名: [{(3,4-Dimethoxy-phenyl)-[2-(4-trifluoromethyl-phenyl)-ethyl]-carbamoyl}-(2-methoxy-phenyl)-methyl]-carbamic acid tert-butyl ester；tert-butyl N-[2-[3,4-dimethoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]anilino]-1-(2-methoxyphenyl)-2-oxoethyl]carbamate
• CAS: 1111734-24-7
• 化学式: C₃₁H₃₅F₃N₂O₆
• 分子量: 588.624
• InChiKey: NZYMHWUGQPBOME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  42
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  86.3
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  [{(3,4-Dimethoxy-phenyl)-[2-(4-trifluoromethyl-phenyl)-ethyl]-carbamoyl}-(2methoxyphenyl)-methyl]-carbamic acid tert-butyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 以30%的产率得到2-amino-N-(3,4-dimethoxy-phenyl)-2-(2-methoxy-phenyl)-N-[2-(4-trifluoromethyl-phenyl)-ethyl]-acetamide
  参考文献：
  名称：

  MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS

  摘要：

  本发明涉及以下式的化合物 其中 Ar，R 1 ，R 2 ，R 3 ，R 4 ，R 5 ，n，o和p如本文所定义 或其药用合适的酸盐、光学纯对映体、拉氏体或二对映异构体混合物。式I的化合物可用于治疗睡眠障碍，如睡眠呼吸暂停症、嗜睡症、失眠、睡眠障碍、时差综合征、昼夜节律紊乱或与神经系统疾病相关的睡眠障碍。

  公开号：

  US20090036422A1
• 作为产物：
  描述：

  (3,4-dimethoxy-phenyl)-[2-(4-trifluoromethyl-phenyl)-ethyl]-amine 、 Boc-DL-(2-甲氧基苯基)甘氨酸 生成 [{(3,4-Dimethoxy-phenyl)-[2-(4-trifluoromethyl-phenyl)-ethyl]-carbamoyl}-(2methoxyphenyl)-methyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS

  摘要：

  本发明涉及式I的化合物，其中Ar，R1，R2，R3，R4，R5，n，o和p如本文所定义，或其药学适用的酸盐加合物，光学纯对映体，外消旋体或其二对映异构体混合物。式I的化合物可用于治疗睡眠障碍，如睡眠呼吸暂停，嗜睡症，失眠，睡眠障碍，时差综合症，昼夜节律紊乱或与神经系统疾病相关的睡眠障碍。

  公开号：

  US20090036422A1

文献信息

• [EN] MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS MONOAMIDE EN TANT QU'ANTAGONISTES DE RÉCEPTEURS AUX ORÉXINES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2009016087A1

  公开（公告）日：2009-02-05

  The present invention relates to compounds of formula (I), wherein Ar is aryl or heteroaryl; R1 is hydrogen, halogen, lower alkyl, lower alkyl substituted by halogen, lower alkoxy, lower alkoxy substituted by halogen, cyano, SO2-lower alkyl or hydroxy; R2 is hydrogen, halogen, lower alkyl, lower alkyl substituted by halogen, lower alkoxy, lower alkoxy substituted by halogen, cyano, S-lower alkyl, SO2-lower alkyl, NO2 or hydroxy; R3 is hydrogen, halogen, lower alkyl, lower alkyl substituted by halogen, lower alkoxy, -(CH2)m-O-lower alkyl, lower alkoxy substituted by halogen, 3-hydroxy-oxetan-3-yl, cyano or SO2-lower alkyl; or if o is 2, R3 may form in 3 and 4 position together with the carbon atoms to which they are attached an addional ring with the groups -O-CH2-O-, -O-CF2-CF2-O-, -N=CH-S-, -O-CF2-O-, -(CH2)4-, -NH-C(O)-NH-, -O-(CH2)2- or _(CH2)2-O-; R4/R5 are independently from each other hydrogen, -(CR'2)mOH, lower alkyl, lower alkoxy, -NRR', or is -(CH2)0,1-heterocycloalkyl, optionally substituted by hydroxy, or R4 and R5 are together =O or =N-OH,; R/R' are independently from each other hydrogen, lower alkyl, C(O)H, -(CR'2)m-OH, -(CR'2)m-NR'2, -(CR'2)m-NR'-C(O)-lower alkyl, -(CR'2)m-O-lower alkyl, -(CR'2)m-O-lower alkenyl, -C(O)O-lower alkyl, -C(O)-CR'2-NH-C(O)O-lower alkyl, -C(O)-CR'2-NR'2, or is -(CH2)0,1-heterocycloalkyl or -(CH2)0,1-furan-2-yl; R' are independently from each other hydrogen, lower alkoxy, phenyl or lower alkyl; n is 1, 2, 3 or 4; o is 1, 2 or 3; p is 1, 2 or 3; m is 1, 2 or 3; or to pharmaceutically suitable acid addition salts, optically pure enantiomers, racemates or diastereomeric mixtures thereof. The compounds of formula (I) may be used for example for the treatment of the sleep disorders, which are sleep apnea, narcolepsy, insomnia, parasomnia, jet lag syndrome, circadian rhythms disorder or sleep disorders associated with neurological diseases.
• MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS
  申请人：Knust Henner

  公开号：US20090036422A1

  公开（公告）日：2009-02-05

  The present invention relates to compounds of formula wherein Ar, R 1 , R 2 , R 3 , R 4 , R 5 , n, o, and p are as defined herein or to pharmaceutically suitable acid addition salts, optically pure enantiomers, racemates or diastereomeric mixtures thereof. The compounds of formula I can be used for the treatment of sleep disorders, such as sleep apnea, narcolepsy, insomnia, parasomnia, jet lag syndrome, circadian rhythms disorder or sleep disorders associated with neurological diseases.

  本发明涉及以下式的化合物 其中 Ar，R 1 ，R 2 ，R 3 ，R 4 ，R 5 ，n，o和p如本文所定义 或其药用合适的酸盐、光学纯对映体、拉氏体或二对映异构体混合物。式I的化合物可用于治疗睡眠障碍，如睡眠呼吸暂停症、嗜睡症、失眠、睡眠障碍、时差综合征、昼夜节律紊乱或与神经系统疾病相关的睡眠障碍。