benzoic acid 4-benzyloxy-3-nitro-phenyl ester | 391904-79-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: benzoic acid 4-benzyloxy-3-nitro-phenyl ester
• 英文别名: (3-nitro-4-phenylmethoxyphenyl) benzoate
• CAS: 391904-79-3
• 化学式: C₂₀H₁₅NO₅
• 分子量: 349.343
• InChiKey: AHGVUYRMBUWOKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  benzoic acid 4-benzyloxy-3-nitro-phenyl ester 在 platinum(IV) oxide 氢气 、 三乙胺 作用下， 以 甲醇 、 乙酸乙酯 为溶剂， 生成 benzoic acid 3-benzenesulfonylamino-4-benzyloxy-phenyl ester
  参考文献：
  名称：

  2,4-thiazolidinediones as potent and selective human β3 agonists

  摘要：

  Methylsulfonamide substituted 2,4-thiazolidinedione 22c is a potent (EC50 = 0.01 muM, IA = 1.19) and selective (more than 110-fold over beta (1) and beta (2) agonist activity) beta (3) agonist. This compound has also been proven to be active and selective in an in vivo mode. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00063-4
• 作为产物：
  描述：

  4-羟基-3-硝基苯基苯甲酸酯 、 溴甲苯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以90%的产率得到benzoic acid 4-benzyloxy-3-nitro-phenyl ester
  参考文献：
  名称：

  2,4-thiazolidinediones as potent and selective human β3 agonists

  摘要：

  Methylsulfonamide substituted 2,4-thiazolidinedione 22c is a potent (EC50 = 0.01 muM, IA = 1.19) and selective (more than 110-fold over beta (1) and beta (2) agonist activity) beta (3) agonist. This compound has also been proven to be active and selective in an in vivo mode. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00063-4

文献信息

• Cyclic amine phenyl beta-3 adrenergic receptor agonists
  申请人：——

  公开号：US20020028835A1

  公开（公告）日：2002-03-07

  This invention provides compounds of Formula I having the structure 1 wherein, R 1 , R 2 , R 3 , R 4 , R 5 , T, T 1 , T 2 , and X are as defined hereinbefore, or a pharmaceutically acceptable salt thereof, which are useful in treating or inhibiting metabolic disorders related to insulin resistance or hyperglycemia (typically associated with obesity or glucose intolerance), atherosclerosis, gastrointestinal disorders, neurogenetic inflammation, glaucoma, ocular hypertension and frequent urination; and are particularly useful in the treatment or inhibition of type II diabetes.

  本发明提供了具有结构1的化合物，其中R1、R2、R3、R4、R5、T、T1、T2和X如前所定义，或其药学上可接受的盐，其在治疗或抑制与胰岛素抵抗或高血糖有关的代谢紊乱（通常与肥胖或葡萄糖不耐症有关）、动脉粥样硬化、胃肠道疾病、神经遗传性炎症、青光眼、眼压增高和频繁排尿方面非常有用；尤其适用于治疗或抑制2型糖尿病。
• 2,4-thiazolidinediones as potent and selective human β3 agonists
  作者：Baihua Hu、John Ellingboe、Iwan Gunawan、Stella Han、Elwood Largis、Zenan Li、Michael Malamas、Ruth Mulvey、Alexander Oliphant、Fuk-Wah Sum、Jeff Tillett、Victoria Wong

  DOI：10.1016/s0960-894x(01)00063-4

  日期：2001.3

  Methylsulfonamide substituted 2,4-thiazolidinedione 22c is a potent (EC50 = 0.01 muM, IA = 1.19) and selective (more than 110-fold over beta (1) and beta (2) agonist activity) beta (3) agonist. This compound has also been proven to be active and selective in an in vivo mode. (C) 2001 Elsevier Science Ltd. All rights reserved.