4-[[4-(acetylamino)phenyl]amino]benzoic acid | 852927-26-5

• 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: 4-[[4-(acetylamino)phenyl]amino]benzoic acid
• 英文别名: 4-[(4-acetamidophenyl)amino]benzoic Acid；4-(4-acetamidoanilino)benzoic acid
• CAS: 852927-26-5
• 化学式: C₁₅H₁₄N₂O₃
• 分子量: 270.288
• InChiKey: UZRUQIVUVVRMNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  78.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-[[4-(acetylamino)phenyl]amino]benzoic acid 在 氯化亚砜 、 hydrazine hydrate 、 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 11.0h， 生成
  参考文献：
  名称：

  发现 [1,2,4] 三唑衍生物作为新型金属-β-内酰胺酶抑制剂

  摘要：

  金属β-内酰胺酶（MBL）介导的β-内酰胺类抗菌药物耐药性的出现和蔓延已经威胁到全球公共卫生。尚未确定可逆转 β-内酰胺耐药性的临床有用的 MBL 抑制剂。我们在此报告了一系列 [1,2,4] 三唑衍生物和类似物，它们显示出对临床相关亚类 B1（维罗纳整合子编码的 MBL-2）VIM-2 的抑制作用。3-(4-Bromophenyl)-6,7-dihydro-5H-[1,2,4]triazolo [3,4-b][1,3]thiazine (5l) 表现出最有效的抑制作用，IC50（一半） -最大抑制浓度）值为 38.36 μM。5l 对其他 B1 MBL 和丝氨酸 β-内酰胺酶 (SBL) 的研究揭示了对 VIM-2 的选择性。分子对接分析表明，5l 通过涉及锌配位的三唑与 VIM-2 活性位点结合，并与柔性 L1 环上的残基 Phe61 和 Tyr67 进行疏水相互作用。这项工作提供了新的基于三唑的

  DOI：

  10.3390/molecules25010056

文献信息

• Nitroso derivatives of diphenylamine
  申请人：Lardy Claude

  公开号：US20070123586A1

  公开（公告）日：2007-05-31

  The invention relates to a compound of the formula I in which: R 1 represents, independently of each other, a halogen atom; an aliphatic hydrocarbon-based group optionally substituted and/or optionally interrupted by one or more oxygen or sulfur atoms; a nitro group; a cyano group; an amino group; a mono- or dialkylamino group; an alkylcarbonyl group; a carboxyl group; an alkylcarbonylamino group; an alkylsulfonyl group; R 2 represents, independently of each other, a cyano group; a hydroxyl group, an alkylcarbonyl group; a carboxyl group; an alkoxycarbonyl group; an unsubstituted amide group; or a linear or branched alkyl group substituted by a cyano, hydroxyl, carboxyl, alkoxycarbonyl or unsubstituted amide group; i and j independently being 1 to 5, with the exclusion of the compound for which i and j=1 and R 1 =carboxyl and R 2 =alkoxycarbonyl or R 1 =CF 3 and R 2 =carboxyl, and also the pharmaceutically acceptable derivatives, salts, solvates and stereoisomers thereof, including mixtures thereof in all proportions.

  本发明涉及一种具有公式I的化合物，其中：R1分别表示卤素原子；一种基于脂肪族的羟基烃基团，可选地被一个或多个氧或硫原子取代和/或中断；硝基基团；氰基团；氨基团；一种单烷基或二烷基氨基团；烷基羰基基团；羧基团；烷基羰基氨基基团；烷基磺酰基基团；R2分别表示氰基团；羟基团；烷基羰基基团；羧基团；烷氧羰基基团；未取代酰胺基团；或线性或支链烷基团，被氰基，羟基，羧基，烷氧羰基或未取代酰胺基团取代；i和j分别独立地为1到5，除了i和j=1且R1=羧基和R2=烷氧羰基或R1=CF3和R2=羧基的化合物之外，还包括其药学上可接受的衍生物，盐，溶剂和立体异构体，包括所有比例的混合物。
• Diphenylamine derivatives
  申请人：Lardy Claude

  公开号：US20070129433A1

  公开（公告）日：2007-06-07

  The invention relates to compounds of the formula (I) in which: i and j=1; R 1 is in position 3 or 4 on the phenyl ring and represents a cyano group, an alkoxy group substituted by halogen, a thioalkyl group, an alkylcarbonyl group or an alkylsulfonyl group; and R 2 represents a carboxyl group, an aikoxycarbonyl group, an alkylcarbonyl group, an unsubstituted amide group or a linear or branched alkyl group substituted by a cyano, hydroxyl, cabboxyl, aikoxycarbonyl or unsubstituted amide group; and also the pharmaceutically acceptable derivatives, salts, solvates and stereoisomers thereof, including mixtures thereof in all proportions.

  本发明涉及式(I)的化合物，其中：i和j=1；R1位于苯环上的3或4位置，并表示氰基，被卤素取代的烷氧基，硫代烷基，烷基羰基基团或烷基磺酰基团；R2表示羧基，烷氧羰基基团，烷基羰基基团，未取代酰胺基团或被氰基，羟基，羧基，烷氧羰基或未取代酰胺基团取代的线性或支链烷基；以及其药学上可接受的衍生物，盐，溶剂合物和立体异构体，包括所有比例的混合物。
• Self-foaming or foam-like preparations
  申请人：Beiersdorf Aktiengesellschaft

  公开号：US20020182234A1

  公开（公告）日：2002-12-05

  Self-foaming and/or foam-like cosmetic or dermatological preparations which comprise I. an emulsifier system which consists of A. at least one emulsifier A chosen from the group of wholly neutralized, partially neutralized or unneutralized branched and/or unbranched, saturated and/or unsaturated fatty acids having a chain length of from 10 to 40 carbon atoms, B. at least one emulsifier B chosen from the group of polyethoxylated fatty acid esters having a chain length of from 10 to 40 carbon atoms and a degree of ethoxylation of from 5 to 100 and C. at least one coemulsifier C chosen from the group of saturated and/or unsaturated, branched and/or unbranched fatty alcohols having a chain length of from 10 to 40 carbon atoms and II. 1 to 90% by volume, based on the total volume of the preparation, of at least one gas chosen from the group consisting of air, oxygen, nitrogen, helium, argon, nitrous oxide (N 2 O) and carbon dioxide (CO 2 ).

  自起泡和/或泡沫状化妆品或皮肤科制剂，包括 I. 乳化剂体系，包括 A. 至少一种乳化剂 A，选自完全中和、部分中和或未中和的支链和/或非支链、饱和 和和/或不饱和脂肪酸，其链长为 10 至 40 个碳原子、 B. 至少一种乳化剂 B，选自链长度为 10 至 40 个碳原子、乙氧基化程度为 5 至 100 的聚氧乙烯脂肪酸酯类，以及 C. 至少一种助乳化剂 C，选自饱和和/或不饱和、支链和/或不支链脂肪醇类，其碳 链长度为 10 至 40 个碳原子；以及 D. 至少一种乳化剂 B，选自多乙氧基化脂肪酸酯类，其碳链长度为 10 至 40 个碳原子，乙氧基化程度为 5 至 100。 II.以制剂总体积为基准，1-90%体积的至少一种气体，选自空气、氧气、氮气、 氦气、氩气、一氧化二氮（N 2 O）和二氧化碳（CO 2 ).
• Cosmetic or dermatological preparations of the oil-in-water type
  申请人：Beiersdorf AG

  公开号：US20030049214A1

  公开（公告）日：2003-03-13

  The present invention includes cosmetic or dermatological preparations of the oil-in-water type comprising an oil phase in which at least one UV filter substance is incorporated, and a water phase, where the difference in density between the oil phase and the water phase (determinable using a computerized digital density meter of the type DMA 45 from Chempro/PA at 25° C.) is not greater than 0.01 g·cm −3 . The present invention also includes methods of stabilizing oil-in-water formulations.

  本发明包括水包油类型的化妆品或皮肤病制剂，该制剂由油相和水相组成，油相中含有至少一种紫外线过滤物质，其中油相和水相的密度差（可使用 Chempro/PA 公司生产的 DMA 45 型计算机数字密度计在 25°C 时测定）不大于 0.01 g-cm -3。 本发明还包括稳定水包油配方的方法。
• Cosmetic or dermatological formulations that are visible on the skin and uses for same
  申请人：Beiersdorf AG

  公开号：US20040057915A1

  公开（公告）日：2004-03-25

  The invention is a cosmetic or dermatological formulation and a method of applying same. The cosmetic or dermatological formulation includes one or more effect pigments, particularly pearlescent pigments, having an average particle size of from 15 &mgr;m to 200 &mgr;m for making the cosmetic or dermatological formulation visible on the skin. The invention also includes a method of assessing the amount of a cosmetic and dermatological formulation applied to the skin.

  本发明是一种化妆品或皮肤剂配方及其应用方法。化妆品或皮肤配方包括一种或多种效果颜料，特别是珠光颜料，其平均粒径为 15 微米至 200 微米，用于使化妆品或皮肤配方在皮肤上可见。本发明还包括一种评估涂抹在皮肤上的化妆品和皮肤配方用量的方法。