methyl 2-[3-(2-nitrophenoxy)phenyl]acetate | 82340-98-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 2-[3-(2-nitrophenoxy)phenyl]acetate
• 英文别名: methyl 3-(2-nitrophenyloxy)phenylacetate
• CAS: 82340-98-5
• 化学式: C₁₅H₁₃NO₅
• 分子量: 287.272
• InChiKey: UFUCHWWXASZHQJ-UHFFFAOYSA-N

物化性质

• 沸点：
  396.3±32.0 °C(Predicted)
• 密度：
  1.278±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 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：

  methyl 2-[3-(2-nitrophenoxy)phenyl]acetate 在 platinum(IV) oxide 氢气 作用下， 以 甲醇 为溶剂， 生成 [3-(2-Amino-phenoxy)-phenyl]-acetic acid methyl ester
  参考文献：
  名称：

  非甾体抗炎药。1. 10，11-二氢-11-氧二苯并[b，f]氧苯乙酸和相关化合物。

  摘要：

  DOI：

  10.1021/jm00351a012
• 作为产物：
  描述：

  3-羟基苯乙酸 在 碳酸氢钠 、 potassium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 methyl 2-[3-(2-nitrophenoxy)phenyl]acetate
  参考文献：
  名称：

  Hydroxyquinolone derivatives compounds which have pharmaceutical utility

  摘要：

  这项发明涉及一类在3位被可选择取代的芳基取代物所取代的4-羟基-2-(1H)-喹啉酮。这些化合物是N-甲基-D-天冬氨酸(NMDA)受体的选择性非竞争性拮抗剂。

  公开号：

  US05348962A1

文献信息

• Hydroxyquinolone derivatives
  申请人：Merck, Sharp & Dohme Limited

  公开号：US05559125A1

  公开（公告）日：1996-09-24

  A class of 4-hydroxy-2-(1H)-quinolone derivatives, substituted at the 3-position by an optionally substituted aryl substituent, are selective non-competitive antagonists of NMDA receptors and/or are antagonists of AMPA receptors, and are therefore of utility in the treatment of conditions, such as neurodegenerative disorders, convulsions or schizophrenia, which require the administration of an NMDA and/or AMPA receptor antagonist.

  一类4-羟基-2-(1H)-喹啉衍生物，其在3位被可选择取代的芳基取代基所取代，是NMDA受体的选择性非竞争性拮抗剂和/或AMPA受体的拮抗剂，因此在治疗需要给予NMDA和/或AMPA受体拮抗剂的疾病，如神经退行性疾病、惊厥或精神分裂症等方面具有实用价值。
• Evaluation and Biological Properties of Reactive Ligands for the Mapping of the Glycine Site on the <i>N</i>-Methyl-<scp>d</scp>-aspartate (NMDA) Receptor
  作者：Annett Kreimeyer、Bodo Laube、Mike Sturgess、Maurice Goeldner、Bernard Foucaud

  DOI：10.1021/jm9910730

  日期：1999.10.1

  The glycine-binding site of the N-methyl-D-aspartate (NMDA) receptor, given its potential as pharmacological target, has been thoroughly studied by structure-activity relationships, which has made possible its description in terms of spatial limits and interactions of various types. A structural model, based on mutational analysis and sequence alignements, has been proposed. Yet, the amino acid residues responsible for the interactions with the ligand have not been unambiguously characterized. To evidence nucleophilic pocket-lining residues, we have designed and synthesized reactive glycine-site ligands derived from 3-substituted 4-hydroxy-quinolin-2(1H)-ones by introducing various electrophilic groups at different positions of the molecule. These ligands were found to have high affinity at the glycine site and to be functional antagonists by inhibiting glycine/glutamate-induced currents in transfected oocytes. The correlation between their potency and their substitution pattern was strictly consistent with previously established structure-activity relationships. Most ligands displayed intrinsic reactivity toward cysteine, but none inactivated wild-type receptors. This is consistent with the model since it indicates the absence of exposed cysteine in the glycine-binding site. A strategy of cysteine incorporation by point mutations at selected polypeptide positions will create unambiguously localized targets for our reactive probes.
• Hydroxyquinolone derivatives compounds which have pharmaceutical utility
  申请人：Merck Sharpe & Dohme Ltd.

  公开号：US05348962A1

  公开（公告）日：1994-09-20

  This present invention relates to a class of 4-hydroxy-2-(1H)-quinolones which are substituted in the 3-position by an optionally substituted aryl substituent. These compounds are selective non-competitive antagonists of N-methyl-D-aspartate (NMDA) receptors.

  这项发明涉及一类在3位被可选择取代的芳基取代物所取代的4-羟基-2-(1H)-喹啉酮。这些化合物是N-甲基-D-天冬氨酸(NMDA)受体的选择性非竞争性拮抗剂。
• Nonsteroidal antiinflammatory agents. 1. 10,11-Dihydro-11-oxodibenz[b,f]oxepinacetic acids and related compounds
  作者：Yasutaka Nagai、Akira Irie、Hideo Nakamura、Katsuhiko Hino、Hitoshi Uno、Haruki Nishimura

  DOI：10.1021/jm00351a012

  日期：1982.9