(4-甲酰基-3-甲氧基苯氧基)乙酸 | 84969-24-4

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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: (4-甲酰基-3-甲氧基苯氧基)乙酸
• 中文别名: 2-(4-甲酰基-3-甲氧基苯氧基)-乙酸
• 英文名称: 4-formyl-3-methoxyphenoxyacetic acid
• 英文别名: 2-methoxy-4-carboxymethoxybenzaldehyde；2-(4-Formyl-3-methoxyphenoxy)acetic acid
• CAS: 84969-24-4
• 化学式: C₁₀H₁₀O₅
• 分子量: 210.186
• InChiKey: ORVNCMYBCMQQSV-UHFFFAOYSA-N

物化性质

• 沸点：
  421.1±30.0 °C(Predicted)
• 密度：
  1.311±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• WGK Germany：
  3
• 海关编码：
  2918990090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  (4-甲酰基-3-甲氧基苯氧基)乙酸 在 哌啶 、 亚磷酸三乙酯 作用下， 以 1,4-二氧六环 为溶剂， 反应 7.0h， 生成 2-[4-(1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)-3-methoxyphenyloxy]acetic acid
  参考文献：
  名称：

  Design, Synthesis, and Structure−Activity Relationships of 1-,3-,8-, and 9-Substituted-9-deazaxanthines at the Human A_2B Adenosine Receptor

  摘要：

  Over two hundred 1-, 3-, 8-, and 9-substituted-9-deazaxanthines were prepared and evaluated for their binding affinity at the recombinant human adenosine receptors, in particular at the hA(2B) and hA(2A) subtypes. Several ligands endowed with sub-micromolar to low nanomolar binding affinity at hA(2B) receptors, good selectivity over hA(2A) and hA(3), but a relatively poor selectivity over hA(1) were obtained. Good antagonistic potencies and efficacies, with pA(2) values close to the corresponding pK(i)s, were observed in functional assays in vitro performed on a selected series of compounds. 1,3-Dimethyl-8-phenoxy-(N-p-halogenophenyl)-acetamido-9-deazaxanthine derivatives appeared as the most interesting leads, some of them showing outstanding hA(2B) affinities, high selectivity over hA(2A) and hA(3), but low selectivity over hA(1). Structure-affinity relationships suggested that the binding potency at the hA(2B) receptor was mainly modulated by the steric (lipophilic) properties of the substituents at positions 1 and 3 and by the electronic and lipophilic characteristics of the substituents at position 8. A comparison among affinity and selectivity profiles of 9-deazaxanthines with the corresponding xanthines suggested some possible differences in their binding mode.

  DOI：

  10.1021/jm0506221

文献信息

• Bioactive sensors
  申请人：Eichler Jutta

  公开号：US20050153357A1

  公开（公告）日：2005-07-14

  The present invention relates to sensors for the detection of molecular interactions between immobilized ligands and non-immobilized interaction partners (receptors). These surfaces use novel ligand-anchor conjugates which allow highly specific interaction with suitable interaction partners. Furthermore the invention relates to methods of providing the sensing surface and in particular methods of synthesising the ligand-anchor conjugates (LAC).

  本发明涉及用于检测固定配体和非固定相互作用伙伴（受体）之间分子相互作用的传感器。这些表面使用新型配体锚定物结合物，可以与适当的相互作用伙伴高度特异性地相互作用。此外，本发明涉及提供传感表面的方法，特别是合成配体锚定物结合物（LAC）的方法。
• Conjugates of methyltrithio antitumor agents and intermediates for their synthesis
  申请人：AMERICAN CYANAMID COMPANY

  公开号：EP0689845A2

  公开（公告）日：1996-01-03

  This invention describes carrier-drug conjugates prepared from disulfide analogs of the calicheamicin family of potent antitumor antibiotics and their derivatives, as well as similar analogs from related antitumor antibiotics such as the esperamicins. The carrier can be an antibody, growth factor, or steroid which targets an undesired population of cells, such as those of a tumor. Whole protein carriers as well as their antigen-recognizing fragments and their chemically or genetically manipulated counterparts are useful for the targeting portion of the conjugates. This invention includes compounds required for the synthesis of these conjugates, appropriate pharmaceutical compositions of the carrier-drug conjugates, and their method of use.

  本发明描述了由强效抗肿瘤抗生素卡利昔明家族的二硫类似物及其衍生物，以及相关抗肿瘤抗生素（如埃斯帕米星）的类似物制备的载体-药物共轭物。载体可以是一种抗体、生长因子或类固醇，它们可以靶向不需要的细胞群，如肿瘤细胞。整个蛋白质载体以及它们的抗原识别片段和经过化学或基因处理的对应物都可用于共轭物的靶向部分。本发明包括合成这些共轭物所需的化合物、载体-药物共轭物的适当药物组合物及其使用方法。
• Dual-wavelength positive-working radiation-sensitive elements
  申请人：Goodin W. Jonathan

  公开号：US20050287468A1

  公开（公告）日：2005-12-29

  A positive-working radiation-sensitive composition for use with a radiation source comprises one or more polymers capable of being eluted in an alkaline aqueous solution and a development-enhancing compound. The invention provides a positive-working photosensitive composition of good sensitivity for use with one or both of ultra-violet radiation and an infrared laser radiation source. The composition is stable in its state before exposure and has an excellent handling property. The sensitivity of a radiation-sensitive coating based on the composition of this invention is increased without compromising the handling characteristics. Radiation-sensitive elements based on the composition of the invention have good development latitude. A positive-working lithographic printing precursor is based on the radiation-sensitive composition coated on a hydrophilic surface. The precursor is developable using an alkaline aqueous solution, and may be used with a radiation source in lithographic applications, such as conventional imaging systems, computer-to-plate systems or other direct imaging applications. The precursor is stable in its state before exposure and has an excellent handling property.

  一种用于辐射源的正工作感光组合物由一种或多种可在碱性水溶液中洗脱的聚合物和一种显影增强化合物组成。本发明提供了一种具有良好灵敏度的正工作光敏组合物，可与紫外线辐射源和红外线激光辐射源中的一种或两种辐射源配合使用。该组合物在曝光前状态稳定，并具有极佳的处理特性。基于本发明组合物的辐射敏感涂层的灵敏度在不影响操作特性的情况下得到提高。基于本发明组合物的辐射敏感元件具有良好的发展潜力。以涂在亲水性表面上的辐射敏感元件为基础的正片平版印刷前驱体。前驱体可使用碱性水溶液显影，并可与辐射源一起用于平版印刷应用，如传统成像系统、计算机直接制版系统或其他直接成像应用。前驱体在曝光前的状态稳定，具有极佳的处理特性。
• [EN] 6-ARYL PYRAZOLO[3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF<br/>[FR] 6-ARYL PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES, COMPOSITIONS ET PROCEDES D'UTILISATION DE CES COMPOSES
  申请人：SANOFI WINTHROP, INC.

  公开号：WO1996028448A1

  公开（公告）日：1996-09-19

  (EN) 6-Aryl pyrazolo[3,4-d]pyrimidin-4-one derivatives, pharmaceutical compositions containing them and methods for effecting c-GMP-phosphodiesterase inhibition and for treating heart failure and/or hypertension.(FR) Cette invention concerne des dérivés 6-aryl pyrazolo[3,4-d]pyrimidin-4-one, des compositions pharmaceutiques contenant ces dérivés ainsi que des procédés permettant d'inhiber la c-GMP-phosphodiestérase et de traiter l'insuffisance cardiaque et/ou l'hypertension.

  由6-aryl pyrazolo[3,4-d]pyrimidin-4-one衍生物组成的药用组合以及抑制c-GMP-磷酸二酯酶的方法和用于治疗心衰和/或高血压的药物治疗方法。
• SALTS OF PAROXETINE
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1091958A1

  公开（公告）日：2001-04-18