4-(2-hydroxyethyl)-naphthalene-1-carboxylic acid methyl ester | 475216-20-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-(2-hydroxyethyl)-naphthalene-1-carboxylic acid methyl ester
• 英文别名: 4-(2-Hydroxyethyl)-naphthlene-1-carboxylic acid methyl ester；methyl 4-(2-hydroxyethyl)naphthalene-1-carboxylate
• CAS: 475216-20-7
• 化学式: C₁₄H₁₄O₃
• 分子量: 230.263
• InChiKey: QXNKXYCZCSGASN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (S)-3-(4-Acetylamino-2-benzyloxy-benzenesulfonylamino)-4,4diethoxy-butyric Acid Tert-Butyl Ester 、 4-(2-hydroxyethyl)-naphthalene-1-carboxylic acid methyl ester 生成 4-{2-[5-Acetylamino-2-(1-tert-butoxycarbonylmethyl-2,2-diethoxy-ethylsulfamoyl)-phenoxy]-ethyl}-naphthalene-1-carboxylic acid methyl ester
  参考文献：
  名称：

  Arylsulfonamide ethers, and methods of use thereof

  摘要：

  本文描述了新型芳基磺酰胺醚类化合物，其制药组合物和用途，作为干扰素促进剂-1β转化酶和其他半胱氨酸蛋白酶家族中的抑制剂。在一种实施例中，该化合物由广义结构描述：以及其药学上可接受的盐，酯，酰胺和前药。此外，本文还描述了使用本发明的化合物或其制药组合物治疗中风，炎症性疾病，脓毒性休克，再灌注损伤，阿尔茨海默病和志贺氏菌病的方法。

  公开号：

  US06875765B2
• 作为产物：
  描述：

  在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 生成 4-(2-hydroxyethyl)-naphthalene-1-carboxylic acid methyl ester
  参考文献：
  名称：

  Structure-based design of substituted biphenyl ethylene ethers as ligands binding in the hydrophobic pocket of gp41 and blocking the helical bundle formation

  摘要：

  A series of substituted biphenyl ethylene ether compounds has been designed to target the gp41 N-trimer in order to inhibit formation of the six-helical bundle that represents the end state of gp41-mediated viral fusion. A size exclusion HPLC based helical bundle formation (HBF) assay was developed to evaluate in vitro inhibitory affinity of the inhibitors. The most potent compound 1 had an IC(50) of 31 mu M. The binding of compound 1 to the proposed hydrophobic pocket of gp41 was further validated by site-directed peptide mutagenesis experiments. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.018

文献信息

• ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF
  申请人：Abbott GmbH & Co. KG

  公开号：EP1392280A2

  公开（公告）日：2004-03-03
• EP1392280A4
  申请人：——

  公开号：EP1392280A4

  公开（公告）日：2005-11-30
• US6875765B2
  申请人：——

  公开号：US6875765B2

  公开（公告）日：2005-04-05
• [EN] ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF<br/>[FR] ETHERS ARYLSULFONAMIDE ET TECHNIQUES D'UTILISATION DE CES COMPOSES
  申请人：ABBOTT GMBH & CO KG

  公开号：WO2002089749A2

  公开（公告）日：2002-11-14

  Novel arylsulfonamide ether compounds and pharmaceutical compositions thereof are described. The use of the novel arylsulfonamide ether compounds and pharmaceutical compositions thereof as inhibitors of interleukin-1β converting enzyme and other cysteine proteases in the ICE family is also described. In addition, methods of treating stroke, inflammatory diseases, septic shock, repurfusion injury, Alzheimer's disease, and shigellosis using a compound of the invention or a pharmaceutical composition thereof are described.