5-[[4-(hydroxy)phenyl] amino]-5-oxo-pentanoic acid | 71039-74-2

• 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: 5-[[4-(hydroxy)phenyl] amino]-5-oxo-pentanoic acid
• 英文别名: 5-<(4-hydroxyphenyl)amino>-5-oxopentanoic acid；5-[(4-hydroxyphenyl)amino]-5-oxopentanoic acid；4-(2-carboxypropylamido)phenol；5-(4-Hydroxyanilino)-5-oxopentanoic acid
• CAS: 71039-74-2
• 化学式: C₁₁H₁₃NO₄
• mdl: MFCD00157557
• 分子量: 223.229
• InChiKey: KJVAPVLPMQWXAJ-UHFFFAOYSA-N

物化性质

• 沸点：
  551.5±35.0 °C(Predicted)
• 密度：
  1.352±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.272
• 拓扑面积：
  86.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-[[4-(hydroxy)phenyl] amino]-5-oxo-pentanoic acid 在 sodium 作用下， 以 甲醇 为溶剂， 以89%的产率得到
  参考文献：
  名称：

  FLUORESCENT WATER-SOLUBLE POLYCATIONIC CHITOSAN POLYMERS AS MARKERS FOR BIOLOGICAL 3D IMAGING

  摘要：

  A fluorescent water-soluble polycationic chitosan polymer having a general formula (I) and salts thereof: wherein a is an integer between 220 and 11,200; R 1 and R 2 are independently selected from the group consisting of CH 3 CO and H, provided that at least 25% of the O-positions of the chitosan polymer structure is substituted with CH 3 CO; R 7 is selected from the group consisting of CH 3 CO, H and Dye, provided that (i) at least one Dye residue is present in the chitosan polymer structure, (ii) and at least 15% of the N-positions of the chitosan polymer structure is substituted with CH 3 CO; Dye is a polymethine dye, having a general formula (II): wherein W represents 4-8 carbon atoms forming a benzo-condensed or a naphto-condensed ring; R 3 and R 4 are independently selected from the group consisting of CH 2 CH 3 , (CH 2 ) 3 SO 3− , (CH 2 ) 3 N + (CH 3 ) 3 ; R 5 and R 6 are independently selected from the group consisting of H, SO 3− ; Q is selected from the group consisting of wherein D is selected from the group consisting of

  公开号：

  US20240175874A1
• 作为产物：
  描述：

  Benzoic acid 4-(4-carboxy-butyrylamino)-phenyl ester 在 antibody 30C₆ 、 水 、 sodium chloride 作用下， 生成 5-[[4-(hydroxy)phenyl] amino]-5-oxo-pentanoic acid
  参考文献：
  名称：

  Bait and switch strategy for obtaining catalytic antibodies with acyl-transfer capabilities

  摘要：

  DOI：

  10.1021/ja00159a074

文献信息

• Symmetric, monofunctionalised polymethine dyes labelling reagents
  申请人：Innosense S.r.l.

  公开号：EP1221465A1

  公开（公告）日：2002-07-10

  A symmetric cyanine of the formula: wherein: X is selected from the group consisting of O, S and C(CH3)2; W represents non-metal atoms required to form a benzo-condensed or a naphto-condensed ring; R1 is selected from the group consisting of (CH2)nCH3, (CH2)nSO3- and (CH2)nSO3H, wherein n is an integer selected from 0 to 6 when R1 is (CH2)nCH3, and n is an integer selected from 3 to 6 when R1 is (CH2)nSO3- or (CH2)nSO3H; R2 and R3 are independently selected from the group consisting of H, a sulphonic moiety and a sulphonate moiety; Q is selected from the group consisting of: wherein q is 0 or 1 and D is selected from the group consisting of:         -C≡C-G; and wherein A is O or S and G is, or contains a N, O or S nucleophile moiety or is, or contains a moiety capable of reacting with N, O or S nucleophiles.

  公式为：其中：X从O、S和C(CH3)2组成的组中选择；W代表形成苯并或萘并环所需的非金属原子；R1从(CH2)nCH3、(CH2)nSO3-和(CH2)nSO3H组成的组中选择，其中当R1为(CH2)nCH3时，n是从0到6选择的整数，当R1为(CH2)nSO3-或(CH2)nSO3H时，n是从3到6选择的整数；R2和R3独立地从H、磺酸基团和磺酸盐基团组成的组中选择；Q从以下组成的组中选择：其中q为0或1，D从以下组成的组中选择：-C≡C-G；其中A为O或S，G是或含有N、O或S亲核基团，或是或含有能与N、O或S亲核基团发生反应的基团。
• Composition and method for dyeing dye-susceptible material
  申请人：Wella Aktiengesellschaft

  公开号：EP1348700A3

  公开（公告）日：2004-01-14

  Composition for colouring dye-susceptible material (preferably keratinous material), containing at least one pro-dye (especially a glutaramide) and at least one enzyme capable of reacting, cleaving, or modifying the enzymatically-labile functionality in the pro-dye to form a dye substance or a direct dye; as well as a 2-component-kit.

  用于着色易染料材料（最好是角质材料）的配方，含有至少一种原染料（尤其是戊二酰胺）和至少一种能够反应、裂解或修改原染料中酶敏感功能的酶，以形成染料物质或直接染料；以及一个二组分套装。
• Catalytic Antibodies Induced by a Zwitterionic Hapten
  作者：Takeshi Tsumuraya、Nobuo Takazawa、Atsuko Tsunakawa、Roman Fleck、Satoru Masamune

  DOI：10.1002/1521-3765(20010903)7:17<3748::aid-chem3748>3.0.co;2-g

  日期：2001.9.3

  negatively charged functional groups was designed and synthesized with the goal of generating catalytic antibodies for the hydrolysis of ester 6 and amide 7. Of the 36 monoclonal antibodies specific to BSA-4 (bovine serum albumin) that were isolated, six accelerated the hydrolysis of 6. Two catalytic antibodies with distinctively different and representative kinetic behaviors were selected for detailed

  设计并合成了具有正电荷和负电荷功能基团的两性离子半抗原4，其目的是生成用于酯6和酰胺7水解的催化抗体。在针对BSA-4（牛血清白蛋白）的36种单克隆抗体中，分离出的六种化合物加速了6种化合物的水解。选择了两种具有明显不同和代表性动力学行为的催化抗体进行详细的动力学研究。H8-2-6F11表现出爆发动力学行为，这可以归因于酰基中间体的形成，而H8-1-2D5则没有，但确实表现出很高的多次转换活性。H8-1-2D5催化6的水解速率遵循Michaelis-Menten动力学。Michaelis-Menten常数Km和催化常数kcat的表观值为488 microM和3。5分钟（-1）。H8-1-2D5的催化速率提高（kcat / kun）为1.3 x 10（5），比单功能半抗原的催化速率提高大约两个数量级。因此，H8-1-2D5在催化活性上与通过称为异源免疫的相关方法分离的抗体具有很好的比较。
• Substituted anilide compounds and their use
  申请人：ABBOTT LABORATORIES

  公开号：EP0201633A2

  公开（公告）日：1986-11-20

  The present invention is directed to a fluorescent polarization assay for acetaminophen, to the various components needed for preparing and carrying out such an assay, and to methods of making these components. Specifically, tracers, immunogens and antibodies are disclosed, as well as methods for making them. The tracers and the immunogens are made from substituted anilide compounds. A fluorescein moiety is included in the tracer, while a poly-(amino acid) forms a part of the immunogen. The antibodies are prepared in response to the immunogen. The assay is conducted by measuring the degree of polarization retention of plane polarized light that has been passed through a sample containing antiserum and tracer.

  本发明涉及对乙酰氨基酚的荧光偏振测定法、制备和实施这种测定法所需的各种成分以及制备这些成分的方法。 具体而言，本发明公开了示踪剂、免疫原和抗体以及制备它们的方法。 示踪剂和免疫原由取代的苯胺化合物制成。 示踪剂中含有荧光素分子，而聚氨基酸则是免疫原的一部分。 抗体是针对免疫原制备的。 该测定法是通过测量穿过含有抗血清和示踪剂的样品的平面偏振光的偏振保留程度来进行的。
• MOLECULES WITH ANTIBODY COMBINING SITES THAT CATALYSE HYDROLYSIS REACTIONS
  申请人：THE SCRIPPS RESEARCH INSTITUTE

  公开号：EP0512074B1

  公开（公告）日：1998-07-22