6-(5-Carbamoyl-pyridin-2-yloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester | 676499-11-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-(5-Carbamoyl-pyridin-2-yloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl 6-(5-carbamoylpyridin-2-yl)oxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
• CAS: 676499-11-9
• 化学式: C₂₀H₂₃N₃O₄
• 分子量: 369.42
• InChiKey: ZZAFWCDWXIIKOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  94.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-(5-Carbamoyl-pyridin-2-yloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以51%的产率得到6-(1,2,3,4-Tetrahydro-isoquinolin-6-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
• 作为产物：
  描述：

  6-氯烟酰胺 、 N-BOC-6-羟基-3,4-二氢异喹啉 在 potassium carbonate 作用下， 以 N,N-二甲基乙酰胺 、 甲苯 为溶剂， 生成 6-(5-Carbamoyl-pyridin-2-yloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
  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

• [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。
• 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。
• US7381719B2
  申请人：——

  公开号：US7381719B2

  公开（公告）日：2008-06-03