(4-Hydroxy-3,5-dinitro-phenyl)-essigsaeure-aethylester | 83799-60-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: (4-Hydroxy-3,5-dinitro-phenyl)-essigsaeure-aethylester
• 英文别名: 3,5-Dinitro-4-hydroxy-phenylessigsaeure-aethylester；(4-hydroxy-3,5-dinitro-phenyl)-acetic acid ethyl ester；(4-Hydroxy-3,5-dinitro-phenyl)-acetic acid ethyl ester；ethyl 2-(4-hydroxy-3,5-dinitrophenyl)acetate
• CAS: 83799-60-4
• 化学式: C₁₀H₁₀N₂O₇
• 分子量: 270.199
• InChiKey: FNOPSUREKDPFEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 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：
  138
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (4-Hydroxy-3,5-dinitro-phenyl)-essigsaeure-aethylester 在 吡啶 、 磷化氢 、 硫酸 、 5% Pd-CaCO3 、 氨 、 氢碘酸 、 氢气 、 碘 、 溶剂黄146 、 sodium nitrite 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 6.25h， 生成 3,3,5,5-四碘甲腺乙酸
  参考文献：
  名称：

  双功能甲状腺素整合素抑制剂的设计，合成和生物学评估：新的抗血管生成类似物。

  摘要：

  背景技术抑制病理性血管生成。目的获得新型反式激活剂，双功能，甲状腺拮抗剂，无毒的抗血管生成化合物。材料和方法在鸡的绒毛尿囊膜（CAM）模型中进行计算机药物设计，批量合成和生物学评估。结果在0.25-2.0μg/ ml剂量下有明显的抑制作用（范围为65-73％）。讨论和结论合成了分别将长链部分的胍，尿素，甲胺和丙胺取代基掺入到四（四碘代乙酸）的核心分子框架中的化合物（9），（10）和（11）。承担。在CAM模型中对这些化合物的抗血管生成生物活性的评估表明，与tetrac和XT199相比，它们没有活性损失，后者在1和0剂量水平下显示出近86％的抑制作用。

  DOI：

  10.3109/14756366.2011.557023
• 作为产物：
  描述：

  对羟基苯乙酸乙酯 在 硫酸 、 硝酸 作用下， 生成 (4-Hydroxy-3,5-dinitro-phenyl)-essigsaeure-aethylester
  参考文献：
  名称：

  Thyroxine Analogs

  摘要：

  DOI：

  10.1021/jo01363a010

文献信息

• Synthesis of new analogs of tetraiodothyroacetic acid (tetrac) as novel angiogenesis inhibitors for treatment of cancer
  作者：Mehdi Rajabi、Murat Yalcin、Shaker A. Mousa

  DOI：10.1016/j.bmcl.2018.02.045

  日期：2018.4

  (RGD) recognition site on the binding pocket of integrin αvβ3, tetraiodothyroacetic acid (tetrac, a deaminated derivative of T4) is a thyrointegrin receptor antagonist and blocks the actions of T3 and T4 as well as different growth factors-mediated angiogenesis. In this study, we synthesized novel tetrac analogs by modifying the phenolic moiety of tetrac and tested them for their anti-angiogenesis

  在血管生成过程中，整联蛋白是细胞表面跨膜受体家族的成员，在血管形成和血管生长因子的局部释放中起着至关重要的作用。甲状腺激素，例如升-thyroxine（T 4）和3,5,3'-三碘-升-甲腺氨酸（T 3），通过整合素αvβ3受体促进血管发生和肿瘤细胞增殖。处或附近的精氨酸-甘氨酸-天门冬氨酸上的整合素α结合口袋（RGD）的识别位点v β 3，tetraiodothyroacetic酸（tetrac，T的脱氨基衍生物4）是thyrointegrin受体拮抗剂和块T的动作3和第4以及不同的生长因子介导的血管生成。在这项研究中，我们通过修饰tetrac的酚部分合成了新颖的tetrac类似物，并使用用于小鼠血管生成的Matrigel栓塞模型测试了它们的抗血管生成活性。药理活性结果表明，tetrac可以适应多种修饰并保持其抗血管生成活性。
• COMPOSITIONS OF DUAL THYROINTEGRIN ANTAGONISTS AND USE IN VASCULAR-ASSOCIATED DISORDERS
  申请人：Mousa Shaker A.

  公开号：US20110105482A1

  公开（公告）日：2011-05-05

  A dual thyrointegrin antagonist and a method for treating an angiogenesis-mediated disorder and/or a hyperthyroidism disorders by introducing the dual thyrointegrin antagonist into animals (e.g., mammals, human beings). The dual thyrointegrin antagonist includes a chemical structure having a thyroid hormone antagonist and αvβ 3 integrin antagonist in the same molecule.

  一种双重甲状腺整合素拮抗剂及其治疗介导血管生成障碍和/或甲状腺功能亢进症的方法，通过将双重甲状腺整合素拮抗剂引入动物（例如哺乳动物、人类）来实现。双重甲状腺整合素拮抗剂包括一种具有甲状腺激素拮抗剂和αvβ3整合素拮抗剂的化学结构在同一分子中。
• The Synthesis of Thyromimetic Substances and Potential Inhibitors of Thyroxine¹
  作者：Charles M. Buess、Tullio Giudici、Norman Kharasch、William King、D. David Lawson、N. N. Saha

  DOI：10.1021/jm00328a012

  日期：1965.7
• Obstetric anesthesia practice in Canada
  作者：Terrance W. Breen、Tacie McNeil、Laura Dierenfield

  DOI：10.1007/bf03019874

  日期：2000.12

  Purpose: To describe obstetric anesthesia in Canada as practiced in 1997: to identify practices at variance with the literature and the opinions of experts: and to identify questions for future research.Methods: In 1997, a detailed postal questionnaire asking about the practice of obstetric anesthesia was mailed to all 1,539 specialist anesthesiologist members of the Canadian Anaesthetists' Society residing in Canada. Nonresponders were mailed a second questionnaire three months later.Results: There were 865 completed questionnaires returned for analysis (56.2%). Of these, 522 anesthesiologists practiced obstetric anesthesia (60.3%). The data were subdivided into those from anesthesiologists with a full or part-time university based practice (40.1%) and those from a community based practice (59.9%). University based and community-based anesthesiologists have very similar patterns of practice. Specific areas where anesthesia practice was different from current recommendations included: (1) information provided when obtaining consent for labour epidural analgesia, (2) use of opioids and local anesthetics for initiation of epidural analgesia, (3) use of coagulation testing in preeclampsia, (4) the common use of cutting spinal needles, (5) use of neuraxial morphine and nonsteroidal anti-inflammatory agents after Cesarean deliveries, (6) optimal treatment of neuraxial opioid side effects, (7) when to insert an endotracheal tube for general anesthesia after delivery, and (8) withdrawing epidural catheters through epidural needles.Conclusions: This survey presents reference data on the practice of obstetric anesthesia in Canada in 1997. Anesthesiologists with university affiliation have very similar practices to those without university affiliations.
• Synthesis and Pharmacological Activity of Fluorinated Tryptamine Derivatives
  作者：Asher Kalir、Stephen Szara

  DOI：10.1021/jm00342a019

  日期：1963.11