diclofenac p-nitrophenyl ester | 37987-76-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: diclofenac p-nitrophenyl ester
• 英文别名: [o-(2,6-dichloroanilino)-phenyl]-acetic acid-p-nitrophenyl ester；4-nitrophenyl 2-(2,6-dichlorophenylamino)-phenylacetate；4-Nitrophenyl 2-(2,6-dichlorophenyl-amino)-phenyl-acetate；(4-nitrophenyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
• CAS: 37987-76-1
• 化学式: C₂₀H₁₄Cl₂N₂O₄
• 分子量: 417.248
• InChiKey: XFLUPGSWPRBVSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  28
• 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：
  84.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  diclofenac p-nitrophenyl ester 在 盐酸 、 盐酸羟胺 、 三乙胺 作用下， 以 水 为溶剂， 生成 diclofenac hydroxamic acid
  参考文献：
  名称：

  Antiphlogistic phenylacetohydroxamic acid compositions

  摘要：

  具有以下结构式的苯乙酰羟肟酸I，其中R.sub.1、R.sub.2、R.sub.3和R.sub.4分别独立地表示氢、氯、氟或溴原子或最多具有6个碳原子的烷基或烷氧基，并且其中R.sub.2还可以表示三氟甲基，但要求R.sub.1、R.sub.2和R.sub.3不能同时表示氢原子，以及它们与碱形成的药用可接受盐，这些化合物抑制血小板聚集并表现出有价值的药理活性，特别是抗炎、镇痛和退热活性。

  公开号：

  US04092430A1
• 作为产物：
  描述：

  双氯芬酸 、 对硝基三氟乙酸苯酯 以 吡啶 、 氯仿 、 水 为溶剂， 生成 diclofenac p-nitrophenyl ester
  参考文献：
  名称：

  Antiphlogistic phenylacetohydroxamic acid compositions

  摘要：

  具有以下结构式的苯乙酰羟肟酸I，其中R.sub.1、R.sub.2、R.sub.3和R.sub.4分别独立地表示氢、氯、氟或溴原子或最多具有6个碳原子的烷基或烷氧基，并且其中R.sub.2还可以表示三氟甲基，但要求R.sub.1、R.sub.2和R.sub.3不能同时表示氢原子，以及它们与碱形成的药用可接受盐，这些化合物抑制血小板聚集并表现出有价值的药理活性，特别是抗炎、镇痛和退热活性。

  公开号：

  US04092430A1

文献信息

• Novel substituted phenylacetic acid amide compounds
  申请人：Ciba-Geigy Corporation

  公开号：US04250192A1

  公开（公告）日：1981-02-10

  Phenylacetic acid amide compounds of the formula ##STR1## in which R.sub.1 is hydrogen, lower alkyl, lower alkoxy, halogen having an atomic number of not more than 35 or trifluoromethyl, R.sub.2 is hydrogen, lower alkyl, lower alkoxy, halogen having an atomic number of not more than 35 or trifluoromethyl, R.sub.3 is hydrogen, lower alkyl, lower alkoxy or halogen having an atomic number of not more than 35 and R.sub.4 is hydrogen, lower alkyl, lower alkoxy or halogen having an atomic number of not more than 35, and in which R.sub.5 is a radical of aliphatic character containing the group R.sub.6, R.sub.6 and R.sub.7 are each hydrogen or together are a divalent alipahtic radical and the group of the formula --C(.dbd.O)--R.sub.8 (Ia) is a carboxyl group, which can be functionally modified, and their salts are useful as anti-inflammatory agents.

  式为##STR1##的苯乙酸酰胺化合物，其中R.sub.1为氢、较低烷基、较低烷氧基、原子序数不超过35的卤素或三氟甲基，R.sub.2为氢、较低烷基、较低烷氧基、原子序数不超过35的卤素或三氟甲基，R.sub.3为氢、较低烷基、较低烷氧基或原子序数不超过35的卤素，R.sub.4为氢、较低烷基、较低烷氧基或原子序数不超过35的卤素，其中R.sub.5是含有基团R.sub.6的脂肪族基团，R.sub.6和R.sub.7分别为氢或一起是二价脂肪族基团，公式--C(.dbd.O)--R.sub.8（Ia）的羧基可以被功能修饰，它们的盐可用作抗炎药物。
• Phenylacetohydroxamic acids
  申请人：Ciba-Geigy Corporation

  公开号：US04173577A1

  公开（公告）日：1979-11-06

  Phenylacetohydroxamic acids having the formula I ##STR1## wherein R.sub.1, R.sub.2, R.sub.3 and R.sub.4, independently of each other, represent hydrogen, chlorine, fluorine or bromine atoms or an alkyl or alkoxy group having at most 6 carbon atoms, and wherein R.sub.2 may additionally represent a trifluoromethyl group with the proviso that R.sub.1, R.sub.2 and R.sub.3 may not simultaneously represent hydrogen atoms and their pharmaceutically acceptable salts with bases, which compounds inhibit plateletaggregation and exhibit valuable pharmacological, in particular, antiphlogistic, analgesic and antipyretic activity.

  具有I式的苯乙酰羟胺酸，其中R1，R2，R3和R4独立地表示氢，氯，氟或溴原子或具有最多6个碳原子的烷基或烷氧基，其中R2还可以表示三氟甲基基团，但R1，R2和R3不能同时表示氢原子，以及它们与碱的药学上可接受的盐。这些化合物抑制血小板聚集并表现出有价值的药理学，特别是抗炎，镇痛和退热活性。
• Acylated sugar derivatives, processes for their manufacture, and their
  申请人：Ciba-Geigy Corporation

  公开号：US04711879A1

  公开（公告）日：1987-12-08

  There are described sugar derivatives of the formula I ##STR1## that have immuno-stimulating action and that contain as inventive element at least one radical A.sup.1 or A.sup.2. These radicals A.sup.1 and A.sup.2, which may be constituents of the radicals R.sup.1, R.sup.2, R.sup.4, R.sup.6, R.sup.9, R.sup.10 or R.sup.12 according to formula I, are defined as follows: A.sup.1 represents lower alkanoyl that is substituted by aryl, heteroaryl or heteroarylthio and that may be additionally substituted by an ethylene radical which, with the above-mentioned aryl or heteroaryl substituent, forms a five-membered ring or represents ortho- or ortho/meta-substituted aroyl. A.sup.2 represents lower alkoxy substituted by aryl, heteroaryl or heteroarylthio. Also described are processes for the manufacture of the compounds of the formula I and novel intermediates.

  描述了具有免疫刺激作用并包含至少一个基团A.sup.1或A.sup.2的I式糖衍生物。这些基团A.sup.1和A.sup.2可能是根据I式中基团R.sup.1、R.sup.2、R.sup.4、R.sup.6、R.sup.9、R.sup.10或R.sup.12的组成部分，并定义如下：A.sup.1代表被芳基、杂芳基或杂芳硫取代的低级脂肪酰基，并且可能被乙烯基取代，该乙烯基与上述芳基或杂芳基取代物形成五元环，或代表邻-或邻/间取代的芳酰基。A.sup.2代表被芳基、杂芳基或杂芳硫取代的低级烷氧基。还描述了制造I式化合物和新中间体的过程。
• Synthesis of oligo(ethylene glycol) substituted phosphatidylcholines: Secretory PLA2-targeted precursors of NSAID prodrugs
  作者：Renato Rosseto、Joseph Hajdu

  DOI：10.1016/j.chemphyslip.2009.10.001

  日期：2010.1

  A series of new phosphatidylcholine analogues with structurally modified sn-2-substituents have been prepared. The synthetic compounds include oligo(ethylene glycol) derivatives with chain-terminal pharmacophores that upon catalytic hydrolysis by phospholipase A(2) yielded a series of oligo(ethylene glycol)-conjugates of the respective drugs. The approach here outlined may open a new way to employ OEG derivatives of phospholipids for therapeutic applications as secretory PLA(2)-targeted precursors of prodrugs. (C) 2009 Elsevier Ireland Ltd. All rights reserved.
• US4092430A
  申请人：——

  公开号：US4092430A

  公开（公告）日：1978-05-30