7-hydroxy-1,3,4,5-tetrahydrobenzo[c]azepine-2-carboxylic acid tert-butyl ester | 667398-65-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 7-hydroxy-1,3,4,5-tetrahydrobenzo[c]azepine-2-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl 7-hydroxy-1,3,4,5-tetrahydro-2H-benzo[c]azepine-2-carboxylate；7-hydroxy-1,3,4,5-tetrahydro-benzo[c]azepine-2-carboxilic acid tert-butyl ester；7-Hydroxy-1,3,4,5-tetrahydro-benzo[c]azepine-2-carboxylic acid tert-butyl ester；tert-butyl 7-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate
• CAS: 667398-65-4
• 化学式: C₁₅H₂₁NO₃
• 分子量: 263.337
• InChiKey: BENDGDGUXNSZJE-UHFFFAOYSA-N

物化性质

• 沸点：
  406.0±45.0 °C(Predicted)
• 密度：
  1.141±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-hydroxy-1,3,4,5-tetrahydrobenzo[c]azepine-2-carboxylic acid tert-butyl ester 在 盐酸 、 MP-CNBH₃ 、 caesium carbonate 、 potassium iodide 作用下， 以 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-isopropyl-7-(3-piperidin-1-yl-propoxy)-2,3,4,5-tetrahydro-1H-benzo[c]azepine
  参考文献：
  名称：

  Synthesis and SAR of novel histamine H3 receptor antagonists

  摘要：

  The synthesis and biological evaluation of novel tetrahydroisoquinoline, tetrahydroquinoline, and tetrahydroazepine antagonists of the human and rat H-3 receptors are described. The substitution around these rings as well as the nature of the substituent on nitrogen is explored. Several compounds with high affinity and selectivity for the human and rat H-3 receptors are reported. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.004
• 作为产物：
  描述：

  7-methoxy-2,3,4,5,5-tetrahydro-benzo[c]azepine 在 4-二甲氨基吡啶 、 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 30.0h， 生成 7-hydroxy-1,3,4,5-tetrahydrobenzo[c]azepine-2-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Exploration of Tetrahydroisoquinoline- and Benzo[c]azepine-Based Sphingosine 1-Phosphate Receptor 1 Agonists for the Treatment of Multiple Sclerosis

  摘要：

  DOI：

  10.1021/acs.jmedchem.3c00498

文献信息

• [EN] DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST<br/>[FR] DIARYLE ETHERS UTILISES EN TANT QU'ANTAGONISTES DE RECEPTEUR OPIOIDES
  申请人：LILLY CO ELI

  公开号：WO2004026305A1

  公开（公告）日：2004-04-01

  A compound of the formula (I) wherein the variables X1 to X10, R1 to R7 including R3', E, v, y, z, A and B are as described, or a pharmaceutically acceptable salt, solvate, enantiomer, racemate, diastereomer or mixtures thereof, useful for the treatment, prevention or amelioration of obesity and Related Diseases is disclosed.

  公式（I）的化合物，其中变量X1至X10，R1至R7包括R3'，E，v，y，z，A和B如所述，或其药用盐，溶剂化物，对映体，消旋体，非对映异构体或其混合物，用于治疗、预防或改善肥胖和相关疾病。
• [EN] SUBSTITUTED AZEPINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES<br/>[FR] AZEPINES SUBSTITUEES UTILISEES COMME ANTAGONISTES DES RECEPTEURS H3 DE L'HISTAMINE, LEUR PREPARATION ET LEURS UTILISATIONS THERAPEUTIQUES
  申请人：LILLY CO ELI

  公开号：WO2004018432A1

  公开（公告）日：2004-03-04

  The present invention discloses novel substituted azepine compounds of Formula (I) or pharmaceutically acceptable salts thereof which have selective histamine-H3 receptor antagonist activity as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising such azepines as well as methods of using them to treat obesity and other histamine H3 receptor-related diseases.

  本发明公开了新型的Formula (I)的取代氮杂环庚烷化合物或其药学上可接受的盐，其具有选择性组胺-H3受体拮抗活性，以及制备这些化合物的方法。在另一实施方案中，本发明公开了包含这些氮杂环庚烷化合物的药物组合物，以及利用它们治疗肥胖和其他组胺H3受体相关疾病的方法。
• [EN] 6,7 - DIHYDROIMIDAZO [2, 1 - B] [1, 3] OXAZINE BACTERICIDES<br/>[FR] BACTÉRICIDES À BASE DE 6,7-DIHYDROIMIDAZO [2,1-B][1,3] OXAZINE
  申请人：OTSUKA PHARMA CO LTD

  公开号：WO2012141338A1

  公开（公告）日：2012-10-18

  The present invention provides a novel 6,7-dihydroimidazo[2,1-b][1,3]oxazine compound that has excellent bactericidal action against tubercle bacilli, multidrug-resistant tubercle bacilli, and atypical acid-fast bacilli. Specifically, the present invention provides a compound represented by Formula (1): or a salt thereof, wherein R1 represents tetrahydroisoquinolyl, tetrahydroquinolyl, tetrahydrobenzoazepinyl, benzoxazolyl, benzothiazolyl, indolyl, isoindolinyl, naphthyl, quinolyl, phenyl, biphenylyl, or pyridyl, these groups being optionally substituted, the phenyl, biphenylyl, and pyridyl represented by R1 each being substituted directly or via a linker with at least one group selected from the group consisting of tetrahydropyridyl, diazepanyl, diazabicycloheptanyl, tetrahydrotriazolopyrazinyl, tetrahydroimidazopyrazinyl, azabicyclooctanyl, oxazolyl, piperazinyl, piperidyl, thiazolyl, and the like, each of these groups being optionally substituted; and R2 represents hydrogen or lower alkyl. The present invention further provides a pharmaceutical composition containing the above.

  本发明提供了一种新型的6,7-二氢咪唑[2,1-b][1,3]噁嗪化合物，该化合物对结核分枝杆菌、多药耐药结核分枝杆菌和非典型抗酸杆菌具有优异的杀菌作用。具体而言，本发明提供了一种由式(1)表示的化合物或其盐，其中R1代表四氢异喹啉基、四氢喹啉基、四氢苯并氮杂环庚基、苯并噁唑基、苯并噻唑基、吲哚基、异吲哚啉基、萘基、喹啉基、苯基、联苯基或吡啶基，这些基团可选地被取代，其中R1表示的苯基、联苯基和吡啶基通过连接基直接或经过至少一种从四氢吡啶基、二氮杂环庚基、二氮杂双环庚基、四氢三唑吡嗪基、四氢咪唑吡嗪基、氮杂双环辛基、噁唑基、哌嗪基、哌啶基、噻唑基等基团中选取的至少一种基团进行取代，这些基团可选地被取代；R2代表氢或低碳基。本发明还提供了包含上述化合物的药物组合物。
• Substituted azepines as histamine h3 receptor antagonists, preparation and therapeutic uses
  申请人：Gadski Alan Robert

  公开号：US20060089347A1

  公开（公告）日：2006-04-27

  The present invention discloses novel substituted azepine compounds of Formula (I) or pharmaceutically acceptable salts thereof which have selective histamine-H3 receptor antagonist activity as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising such azepines as well as methods of using them to treat obesity and other histamine H3 receptor-related diseases.

  本发明披露了一种新型的取代的氮杂七环化合物，其化学式为(I)，或其药学上可接受的盐，具有选择性的组胺H3受体拮抗作用，以及制备这种化合物的方法。在另一种实施方案中，本发明披露了包含这样的氮杂七环化合物的制药组合物，以及使用它们治疗肥胖和其他组胺H3受体相关疾病的方法。
• Diaryl ethers as opioid receptor antagonist
  申请人：Blanco-Pillado Maria-Jesus

  公开号：US20060217372A1

  公开（公告）日：2006-09-28

  A compound of the formula (I) wherein the variables X 1 to X 10 , R 1 to R 7 including R 3′ , E, v, y, z, A and B are as described, or a pharmaceutically acceptable salt, solvate, enantiomer, racemate, diastereomer or mixtures thereof, useful for the treatment, prevention or amelioration of obesity and Related Diseases is disclosed.

  本发明公开了一种化合物（I）的公式，其中变量X1至X10，R1至R7包括R3'，E，v，y，z，A和B如所述，或其药学上可接受的盐，溶剂合物，对映体，外消旋体，非对映体异构体或其混合物，用于治疗、预防或缓解肥胖和相关疾病。