tert-butyl 7-methoxy-3,4-dihydroquinoline-1(2H)-carboxylate | 1023913-73-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: tert-butyl 7-methoxy-3,4-dihydroquinoline-1(2H)-carboxylate
• 英文别名: 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester；tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
• CAS: 1023913-73-6
• 化学式: C₁₅H₂₁NO₃
• 分子量: 263.337
• InChiKey: RPDWRWNLPKMAFW-UHFFFAOYSA-N

物化性质

• 沸点：
  374.1±41.0 °C(Predicted)
• 密度：
  1.104±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 7-methoxy-3,4-dihydroquinoline-1(2H)-carboxylate 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 生成 7-羟基-1,2,3,4-四氢喹啉
  参考文献：
  名称：

  Nonsteroidal androgen receptor agonists based on 4-(trifluoromethyl)-2H-pyrano[3,2-g]quinolin-2-one

  摘要：

  A series of 2H-pyrano[3,2-g]quinolin-2-ones was prepared and tested for the ability to modulate the transcriptional activity of the human androgen receptor (hAR). The parent compound, 4-(trifluoromethyl)-2H-pyrano[3,2-g]quinolin-2-one, displayed moderate interaction with hAR, but substituted analogues were potent hAR modulators in vitro as mesaured by an hAR cotransfection assay in CV-I cells and bound to hAR with high affinity in a whole cell assay. Several analogues were able to activate hAR-mediated gene transcription more potently and efficaciously than dihydrotestosterone. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00118-3
• 作为产物：
  描述：

  1-tert-butoxycarbonyl-1,2,3,4-tetrahydro-7-methyloxy-4-quinolinone 在 palladium on activated charcoal lithium aluminium tetrahydride 、 氢气 、 溶剂黄146 作用下， 生成 tert-butyl 7-methoxy-3,4-dihydroquinoline-1(2H)-carboxylate
  参考文献：
  名称：

  Nonsteroidal androgen receptor agonists based on 4-(trifluoromethyl)-2H-pyrano[3,2-g]quinolin-2-one

  摘要：

  A series of 2H-pyrano[3,2-g]quinolin-2-ones was prepared and tested for the ability to modulate the transcriptional activity of the human androgen receptor (hAR). The parent compound, 4-(trifluoromethyl)-2H-pyrano[3,2-g]quinolin-2-one, displayed moderate interaction with hAR, but substituted analogues were potent hAR modulators in vitro as mesaured by an hAR cotransfection assay in CV-I cells and bound to hAR with high affinity in a whole cell assay. Several analogues were able to activate hAR-mediated gene transcription more potently and efficaciously than dihydrotestosterone. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00118-3

文献信息

• SUBSTITUTED-2-IMIDAZOLES
  申请人：Galley Guido

  公开号：US20080113980A1

  公开（公告）日：2008-05-15

  The present invention relates to compounds of formula I wherein R 1 is selected from the group consisting of hydrogen and lower alkyl; each R 2 is independently selected from the group consisting of hydrogen and lower alkyl; each R 3 is independently selected from the group consisting of hydrogen, lower alkyl, lower alkoxy, phenyloxy, benzyloxy, halogen and lower alkyl substituted by halogen; X is selected from the group consisting of —CH 2 —, —CH— and —O—; Y is selected from the group consisting of —CH 2 —, —CH— and a bond with the proviso that, when X is —O—, Y may not be a bond; Z is selected from the group consisting of —CH 2 — and —CH—; m is 0, 1 or 2; and n is 0, 1 or 2; and to pharmaceutically-acceptable acid addition salts of such compounds. The invention relates also to processes for preparing such compounds, compositions comprising such a compound or a pharmaceutically-acceptable acid addition salt thereof, and a method of treating a disease or disorder in a patient comprising administering such a compound, or pharmaceutically-acceptable acid addition salt thereof, to a patient in need of such treatment.

  本发明涉及公式I的化合物，其中R1选择自氢和较低烷基的群体；每个R2独立选择自氢和较低烷基的群体；每个R3独立选择自氢、较低烷基、较低烷氧基、苯氧基、苯甲氧基、卤素和被卤素取代的较低烷基的群体；X选择自—CH2—、—CH—和—O—的群体；Y选择自—CH2—、—CH—和键的群体，但当X为—O—时，Y不能是键；Z选择自—CH2—和—CH—的群体；m为0、1或2；n为0、1或2；以及该类化合物的药学上可接受的酸盐。本发明还涉及制备这种化合物的方法、包含这种化合物或其药学上可接受的酸盐的组合物，以及一种治疗患者疾病或障碍的方法，包括将这种化合物或其药学上可接受的酸盐用于需要此类治疗的患者的治疗中。
• SUBSTITUTED 4-IMIDAZOLES
  申请人：Galley Guido

  公开号：US20080139533A1

  公开（公告）日：2008-06-12

  The present invention relates to a compound of formula I, wherein R 1 is selected from the group consisting of hydrogen and lower alkyl; each R 2 is independently selected from the group consisting of hydrogen and lower alkyl; each R 3 is independently selected from the group consisting of hydrogen, lower alkyl, lower alkoxy, phenyloxy, benzyloxy, halogen and lower alkyl substituted by halogen; R 4 is selected from the group consisting of hydrogen and lower alkyl; X is selected from the group consisting of —CH 2 —, —CH— and —O—; Y is selected from the group consisting of —CH 2 —, —CH 2 CH 2 —, —CH— and a bond; with the proviso that, when X is —O—, Y is —CH 2 —; Z is selected from the group consisting of —CH 2 — and —CH—; m is 1 or 2; and n is 1 or 2. The invention relates also to a pharmaceutically-acceptable acid-addition salt of such a compound, methods for making the compound, and a composition comprising such a compound. It has been found that the compounds of formula I have a good affinity to the trace amine associated receptors (TAARs), especially for TAAR1.

  本发明涉及一种化合物式I，其中R1选自氢和低碳基的群组；每个R2独立地选自氢和低碳基的群组；每个R3独立地选自氢、低碳基、低烷氧基、苯氧基、苄氧基、卤素和被卤素取代的低碳基的群组；R4选自氢和低碳基的群组；X选自—CH2—、—CH—和—O—的群组；Y选自—CH2—、—CH2CH2—、—CH—和键的群组；但当X为—O—时，Y为—CH2—；Z选自—CH2—和—CH—的群组；m为1或2；n为1或2。本发明还涉及该化合物的药学可接受的酸加成盐、制备该化合物的方法和包含该化合物的组合物。已经发现，式I化合物对痕量胺相关受体（TAARs）具有良好的亲和力，特别是对TAAR1。
• Substituted 4-imidazoles
  申请人：Hoffmann-La Roche Inc.

  公开号：US07858652B2

  公开（公告）日：2010-12-28

  The present invention relates to a compound of formula I, wherein R1 is selected from the group consisting of hydrogen and lower alkyl; each R2 is independently selected from the group consisting of hydrogen and lower alkyl; each R3 is independently selected from the group consisting of hydrogen, lower alkyl, lower alkoxy, phenyloxy, benzyloxy, halogen and lower alkyl substituted by halogen; R4 is selected from the group consisting of hydrogen and lower alkyl; X is selected from the group consisting of —CH2—, —CH— and —O—; Y is selected from the group consisting of —CH2—, —CH2CH2—, —CH— and a bond; with the proviso that, when X is —O—, Y is —CH2—; Z is selected from the group consisting of —CH2— and —CH—; m is 1 or 2; and n is 1 or 2. The invention relates also to a pharmaceutically-acceptable acid-addition salt of such a compound, methods for making the compound, and a composition comprising such a compound. It has been found that the compounds of formula I have a good affinity to the trace amine associated receptors (TAARs), especially for TAAR1.

  本发明涉及一种化合物I，其中R1选自氢和低级烷基组成的群；每个R2独立地选自氢和低级烷基组成的群；每个R3独立地选自氢、低级烷基、低级烷氧基、苯氧基、苄氧基、卤素和被卤素取代的低级烷基组成的群；R4选自氢和低级烷基组成的群；X选自—CH2—、—CH—和—O—组成的群；Y选自—CH2—、—CH2CH2—、—CH—和一个键组成的群；但当X为—O—时，Y为—CH2—；Z选自—CH2—和—CH—组成的群；m为1或2；n为1或2。本发明还涉及这种化合物的药学可接受的酸加成盐、制备该化合物的方法以及包含该化合物的组合物。已经发现，化合物I对追踪胺相关受体（TAARs）具有良好的亲和力，特别是对TAAR1。
• Substituted-2-imidazoles
  申请人：Hoffman-LaRoche Inc.

  公开号：US07834044B2

  公开（公告）日：2010-11-16

  The present invention relates to compounds of formula I wherein R1 is selected from the group consisting of hydrogen and lower alkyl; each R2 is independently selected from the group consisting of hydrogen and lower alkyl; each R3 is independently selected from the group consisting of hydrogen, lower alkyl, lower alkoxy, phenyloxy, benzyloxy, halogen and lower alkyl substituted by halogen; X is selected from the group consisting of —CH2—, —CH— and —O—; Y is selected from the group consisting of —CH2—, —CH— and a bond with the proviso that, when X is —O—, Y may not be a bond; Z is selected from the group consisting of —CH2— and —CH—; m is 0, 1 or 2; and n is 0, 1 or 2; and to pharmaceutically-acceptable acid addition salts of such compounds. The invention relates also to processes for preparing such compounds, compositions comprising such a compound or a pharmaceutically-acceptable acid addition salt thereof, and a method of treating a disease or disorder in a patient comprising administering such a compound, or pharmaceutically-acceptable acid addition salt thereof, to a patient in need of such treatment.

  本发明涉及式I的化合物，其中R1选自氢和较低的烷基组；每个R2独立地选自氢和较低的烷基组；每个R3独立地选自氢、较低的烷基、较低的烷氧基、苯氧基、苄氧基、卤素和被卤素取代的较低烷基；X选自-CH2-、-CH-和-O-组；Y选自-CH2-、-CH-和键，但当X为-O-时，Y不能是键；Z选自-CH2-和-CH-组；m为0、1或2；n为0、1或2；以及这些化合物的药学可接受的酸加盐。本发明还涉及制备这些化合物的方法，包含这样的化合物或其药学可接受的酸加盐的组合物，以及通过向需要此类治疗的患者施用这种化合物或其药学可接受的酸加盐来治疗患病或障碍的方法。
• WO2008/58867
  申请人：——

  公开号：——

  公开（公告）日：——