6-[2-(2-Ethylbutyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-yloxy]nicotinamide | 676498-99-0

• 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: 6-[2-(2-Ethylbutyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-yloxy]nicotinamide
• 英文别名: 6-(2-(2-ethylbutyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-yloxy)nicotinamide；6-[[2-(2-ethylbutyl)-1,3,4,5-tetrahydro-2-benzazepin-7-yl]oxy]pyridine-3-carboxamide
• CAS: 676498-99-0
• 化学式: C₂₂H₂₉N₃O₂
• 分子量: 367.491
• InChiKey: XCXGXHLAQVJAAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  68.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  6-(2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-yloxy)nicotinamide 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 6-[2-(2-Ethylbutyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-yloxy]nicotinamide
  参考文献：
  名称：

  Structure activity relationship studies of carboxamido-biaryl ethers as opioid receptor antagonists (OpRAs). Part 2

  摘要：

  A series of 6-bicycloaryloxynicotinamides were identified as opioid receptor antagonists at mu, kappa, and delta receptors. Compounds in the 6-(2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-yloxy)nicotinamide scaffold exhibited potent in vitro functional antagonism at all three receptors. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.025

文献信息

• 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。
• DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS
  申请人：Blanco-Pillado Maria-Jesus

  公开号：US20080255152A1

  公开（公告）日：2008-10-16

  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.

  本发明揭示了一种式(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、预防或改善肥胖和相关疾病。
• Diaryl ethers as opioid receptor antagonists
  申请人：Eli Lilly and Company

  公开号：US07531557B2

  公开（公告）日：2009-05-12

  Compound 6-(2-fluoro-4-[[2-(tetrahydro-pyran-4-yl)-ethylamino]-methyl]-phenoxy)-nicotinamide, or a pharmaceutically acceptable salt thereof, is useful for the treatment of alcoholism.

  6-(2-氟-4-[[2-(四氢吡喃-4-基)-乙基氨基]-甲基]-苯氧基)-烟酰胺化合物，或其药学上可接受的盐，可用于治疗酗酒症。
• KLEBSIELLA ANTIGENS
  申请人：VALNEVA AUSTRIA GMBH

  公开号：US20140212448A1

  公开（公告）日：2014-07-31

  The present invention relates to an isolated nucleic acid molecule encoding an antigen, a vector comprising such nucleic acid molecule and a host cell comprising such vector. Furthermore, the invention provides antigens from Klebsiella species, fragments and variants thereof, a process for producing such antigens, and a process for producing cells expressing such antigens. Moreover, the present invention provides antibodies binding to such antigen, hybridoma cells producing such antibodies, methods for producing such antibodies, a pharmaceutical composition comprising such nucleic acid molecule, antigen, vector or antibody, the use of such nucleic acid molecule, antigen, vector or antibody for the preparation of a pharmaceutical composition, methods for identifying an antagonist capable of binding such antigen or of inhibiting the interaction activity of such antigen, methods for diagnosis or for treatment or prevention of an infection. More specifically, such antigens are associated with nosocomial bacterial infections or infection by Klebsiella pneumoniae.
• US7381719B2
  申请人：——

  公开号：US7381719B2

  公开（公告）日：2008-06-03