N-(4-乙氧基苯基)羟基乙酰胺 | 22521-79-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(4-乙氧基苯基)羟基乙酰胺
• 中文别名: N-(4-乙氧基苯基)-2-羟基乙酰胺
• 英文名称: glycolic acid p-phenetidide
• 英文别名: Glykolsaeure-p-phenetidid；Fenacetinol；N-(Hydroxyacetamido)-p-phenetidin；N-(4-ethoxyphenyl)-2-hydroxyacetamide
• CAS: 22521-79-5
• 化学式: C₁₀H₁₃NO₃
• mdl: MFCD00868993
• 分子量: 195.218
• InChiKey: UJUHYRDNSIRHHG-UHFFFAOYSA-N

物化性质

• 熔点：
  149-150℃
• 沸点：
  412.9±30.0 °C(Predicted)
• 密度：
  1.216
• 溶解度：
  0.01 M

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2924299090
• 储存条件：
  存储条件：2-8°C，干燥。

反应信息

• 作为反应物：
  描述：

  N-(4-乙氧基苯基)羟基乙酰胺 、 氯甲酸乙酯 生成 ethoxycarbonyloxy-acetic acid p-phenetidide
  参考文献：
  名称：

  α-Hydroxy Amides and Related Compounds

  摘要：

  DOI：

  10.1021/ja01532a052
• 作为产物：
  描述：

  非那西丁 在 human cytochrome CYP₁A₂ 作用下， 生成 对乙酰氨基酚 、 N-(4-乙氧基苯基)羟基乙酰胺
  参考文献：
  名称：

  Oxidation of human cytochrome P450 1A2 substrates by Bacillus megaterium cytochrome P450 BM3

  摘要：

  Cytochrome P450 enzymes (P450s or CYPs) are good candidates for biocatalysis in the production of fine chemicals, including pharmaceuticals. Despite the potential use of mammalian P450s in various fields of biotechnology, these enzymes are not suitable as biocatalysts due to their low stability, low catalytic activity, and limited availability. Recently, wild-type and mutant forms of bacterial P450 BM3 (CYP102A1) from Bacillus megaterium have been found to metabolize various. It has therefore been suggested that CYP102A1 may be used to generate the metabolites of drugs and drug candidates. In this report, we show that the oxidation reactions of typical human CYP1A2 substrates (phenacetin, ethoxyresorufin, and methoxyresorufin) are catalyzed by both wild-type and mutant forms of CYP102A1. In the case of phenacetin, CYP102A1 enzymes show only O-deethylation product, even though two major products are produced as a result of O-deethylation and 3-hydroxylation reactions by human CYP1A2. Formation of the metabolites was confirmed by HPLC analysis and LC-MS to compare the metabolites with the actual biological metabolites produced by human CYP1A2. The results demonstrate that CYP102A1 mutants can be used for cost-effective and scalable production of human CYP1A2 drug metabolites. Our computational findings suggest that a conformational change in the cavity size of the active sites of the mutants is dependent on activity change. The modeling results further suggest that the activity change results from the movement of several specific residues in the active sites of the mutants. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcatb.2010.01.017

文献信息

• Novel compounds for use in weight loss and appetite suppression in humans
  申请人：——

  公开号：US20040192669A1

  公开（公告）日：2004-09-30

  Phenolic compounds with a phenolic molecule to which are covalently linked an oxygen-containing group, a nitrogen or another oxygen containing group, and a C 1 -C 4 alkoxy group, obtainable from monocotyledonous plants, or by chemical synthesis, have been found to act as weight loss agents, appetite suppressants, mood enhancers and adjunctive therapy for arthritis, sleep apnea, fibromyalgia, diabetes and hyperglycemia. Additional chemical compounds of the present invention may include benzoxazinoids-cyclic hydroxyamic acids, lactams, and corresponding glucosides, which may serve as precursors to phenolic compounds. The phenolic compounds and precursors of phenolic compounds of the present invention, at concentrations suitable for human therapeutic use, may be obtained from monocotyledonous plants such as corn in their early growth states which are timely harvested for optimum yield.

  从单子叶植物中获得的含有苯酚分子的苯酚化合物，其中与氧含有基团，氮或另一个氧含有基团以及C1-C4烷氧基共价连接，或通过化学合成，已被发现可作为减肥剂、食欲抑制剂、情绪增强剂和关节炎、睡眠呼吸暂停、纤维肌痛、糖尿病和高血糖的辅助治疗剂。本发明的其他化学化合物可能包括苯并噁唑啉-环状羟基酰胺、内酰胺和相应的葡萄糖苷，这些化合物可能作为苯酚化合物的前体。本发明的苯酚化合物和苯酚化合物的前体，在适合人类治疗使用的浓度下，可以从单子叶植物中获得，例如在它们的早期生长状态下收获以获得最佳产量的玉米。
• Method and composition for increasing reproduction in mammalian and avian species
  申请人：THE UNIVERSITY OF UTAH

  公开号：EP0070016A1

  公开（公告）日：1983-01-19

  Reproductive performance in mammalian and avian species is stimulated by administering an effective amount of one or more compounds of any of Formulas I, II or III, typically at the rate of 0.01 to 2 mg/kg/day: (I) a compound of the formula: wherein R represents C1-C4 alkoxy, with the proviso that R is in the 4 or 5 ring position, n represents the integers 0, 1 or 2, and A represents -OH, -NH2 or where R' represents C1-C4 alkyl, or physiologically acceptable salts thereof; (11) a compound of the formula: wherein R represents C1-C4 alkoxy, with the proviso that R is in the 5 or 6 ring position, and n represents one of the integers 0, 1 or 2; and (III) a compound of the formula: wherein R represents C1-C4 alkoxy, with the proviso that R is in the 6 or 7 ring position, and n represents one of the integers 0, 1 or 2; or physiologically acceptable salts thereof. The active compounds are incorporated in novel feed concentrates and feed compositions or parenteral dosage forms or implants utilized according to the recited method.

  通过施用有效量的一种或多种配方 I、II 或 III 中的任何一种化合物，通常以 0.01 至 2 毫克/千克/天的剂量，可刺激哺乳动物和鸟类的繁殖性能： (I) 式中化合物： 其中 R 代表 C1-C4 烷氧基，但 R 位于 4 或 5 环位置、 n 代表整数 0、1 或 2，以及 A 代表-OH、-NH2 或 其中 R' 代表 C1-C4 烷基、 或其生理上可接受的盐类； (11) 式中化合物： 其中 R 代表 C1-C4 烷氧基，但 R 位于 5 或 6 环位置，且 n 代表 0、1 或 2 整数之一；以及 (III) 式中化合物： 其中 R 代表 C1-C4 烷氧基，但 R 位于 6 或 7 环位置，且 n 代表 0、1 或 2 整数之一； 或其生理上可接受的盐类。 根据所述方法，将活性化合物加入新型饲料浓缩物和饲料组合物或非肠外剂型或植入物中。
• Methods for augmenting immune defenses contemplating the administration of phenolic and indoleamine-like compounds for use in animals ans humans
  申请人：——

  公开号：US20040209877A1

  公开（公告）日：2004-10-21

  Phenolic compounds with a phenolic molecule to which are covalently linked an oxygen-containing group, a nitrogen or another oxygen containing group, and a C 1 -C 4 alkoxy group, obtainable from monocotyledonous plants, or by chemical synthesis, have been found to preserve and/or augment innate immune defenses in humans and animals. Additional chemical compounds of the present invention may include benzoxazinoids-cyclic hydroxyamic acids, lactams, and corresponding glucosides, which may serve as precursors to phenolic compounds. The phenolic compounds and precursors of phenolic compounds of the present invention, at concentrations suitable for human and animal therapeutic use, may be obtained from monocotyledonous plants such as corn in their early growth states which are timely harvested for optimum yield.

  酚类化合物，其酚类分子上共价连接着一个含氧基团、一个氮或另一个含氧基团，以及一个 C 1 -C 4 烷氧基基团的酚类化合物，可从单子叶植物或通过化学合成获得，已被发现可保护和/或增强人类和动物的先天性免疫防御功能。本发明的其他化合物可包括苯并恶嗪环羟肟酸、内酰胺和相应的葡萄糖苷，它们可作为酚类化合物的前体。本发明的酚类化合物和酚类化合物前体，在适合人类和动物治疗使用的浓度下，可从单子叶植物（如玉米）中获得，这些植物处于早期生长状态，及时收获可获得最佳产量。
• Methods for inducing anti-anxiety and calming effects in animals and humans
  申请人：Shelby J. Nancy

  公开号：US20050250772A1

  公开（公告）日：2005-11-10

  Phenolic compounds with a phenolic molecule to which are covalently linked an oxygen-containing group, a nitrogen or another oxygen containing group, and a C 1 -C 4 alkoxy group, or their precursor compounds, obtainable from monocotyledonous plants, or by chemical synthesis, have been found to calm and/or reduce anxiety and related behaviors and states in humans and animals. Additional chemical compounds of the present invention may include benzoxazinoids-cyclic hydroxyamic acids, lactams, and corresponding glucosides, which may serve as precursors to phenolic compounds. The phenolic compounds and precursors of phenolic compounds of the present invention, at concentrations suitable for human and animal therapeutic use, may be obtained from monocotyledonous plants such as corn in their early growth states which are timely harvested for optimum yield.

  酚类化合物，其酚类分子上共价连接着一个含氧基团、一个氮或另一个含氧基团，以及一个 C 1 -C 4 烷氧基基团的酚类化合物或其前体化合物，可从单子叶植物或通过化学合成获得，已被发现可镇静和/或减轻人类和动物的焦虑及相关行为和状态。本发明的其他化合物可包括苯并恶嗪环羟肟酸、内酰胺和相应的葡萄糖苷，它们可作为酚类化合物的前体。本发明的酚类化合物和酚类化合物前体，在适合人类和动物治疗使用的浓度下，可从单子叶植物（如玉米）中获得，这些植物处于早期生长状态，及时收获可获得最佳产量。
• DE306938
  申请人：——

  公开号：——

  公开（公告）日：——