2-[(4-甲氧基苯基)磺酰基]乙酸乙酯 | 2850-21-7

• 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: 2-[(4-甲氧基苯基)磺酰基]乙酸乙酯
• 英文名称: ethyl 2-((4-methoxyphenyl)sulfonyl)acetate
• 英文别名: 2-(4-methoxybenzenesulfonyl)acetic acid ethyl ester；Ethyl 2-[(4-methoxyphenyl)sulfonyl]acetate；ethyl 2-(4-methoxyphenyl)sulfonylacetate
• CAS: 2850-21-7
• 化学式: C₁₁H₁₄O₅S
• mdl: MFCD00054615
• 分子量: 258.295
• InChiKey: HJUXYQLTIVYHIN-UHFFFAOYSA-N

物化性质

• 沸点：
  154 °C(Press: 0.0002 Torr)
• 密度：
  1.240

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  78
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[(4-甲氧基苯基)磺酰基]乙酸乙酯 在 sodium hydroxide 、 草酰氯 、 18-冠醚-6 、 potassium carbonate 、 N,N-二甲基甲酰胺 作用下， 以 甲醇 、 二氯甲烷 、 丙酮 为溶剂， 反应 73.0h， 生成
  参考文献：
  名称：

  Synthesis and Structure−Activity Relationship of α-Sulfonylhydroxamic Acids as Novel, Orally Active Matrix Metalloproteinase Inhibitors for the Treatment of Osteoarthritis

  摘要：

  The matrix metalloproteinases (MMPs) are a family of zinc-containing endopeptidases that play a key role in both physiological and pathological tissue degradation. These enzymes are strictly regulated by endogenous inhibitors such as tissue inhibitors of MMPs and alpha(2)-macroglobulins. Overexpression of these enzymes has been implicated in various pathological disorders such as arthritis, tumor metastasis, cardiovascular diseases, and multiple sclerosis. Developing effective small-molecule inhibitors to modulate MMP activity is one approach to treat these degenerative diseases. The present work focuses on the discovery and SAR of novel N-hydroxy-alpha-phenylsulfonylacetamide derivatives, which are potent, selective, and orally active MMP inhibitors.

  DOI：

  10.1021/jm0205548
• 作为产物：
  描述：

  对甲氧基苯磺酰氯 在 dipotassium peroxodisulfate 、 1,10-菲罗啉 、 碳酸氢钠 、 silver nitrate 、 sodium sulfite 作用下， 以 水 、 乙腈 为溶剂， 反应 8.0h， 生成 2-[(4-甲氧基苯基)磺酰基]乙酸乙酯
  参考文献：
  名称：

  Cross coupling of sulfonyl radicals with silver-based carbenes: a simple approach to β-carbonyl arylsulfones

  摘要：

  亚磺酰自由基与银基卡宾的自由基-卡宾偶联反应已经得到了很好的建立，这为合成各种β-酮基芳基亚磺酰提供了有效的方法。

  DOI：

  10.1039/d0ob00091d

文献信息

• N-hydroxy-2-(Alkyl,Aryl or Heteroaryl sulfanyl, sulfinyl or sulfonyl) 3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors
  申请人：American Cyanamid Company

  公开号：US06342508B1

  公开（公告）日：2002-01-29

  Matrix metalloproteinases (MMps) are a group of enzymes that have been implicated in the pathological destruction of connective tissue and basement membranes. These zinc containing endopeptidases consist of several subsets of enzymes including collagenases, stromelysins and gelatinases. TNF-&agr; converting enzyme (TACE), a pro-inflammatory cytokine, catalyzes the formation of TNF-&agr; from membrane bound TNF-&agr; precursor protein. It is expected that small molecule inhibitors of MMPs and TACE therefore have the potential for treating a variety of disease states. The present invention provides low molecular weight, non-peptide inhibitors of matrix metalloproteinases (MMPs) and TNF-&agr; converting enzyme (TACE) for the treatment of arthritis, tumor metastasis, tissue ulceration, abnormal wound healing, periodontal disease, bone disease, diabetes (insulin resistance) and HIV infection. The compounds of this invention are represented by the formula where R1, R2, R3 and R4 are described herein.

  翻译结果如下： 基质金属蛋白酶（MMps）是一组与连接组织和基底膜病理破坏有关的酶。这些含有锌的内切肽酶包括几个酶亚组，如胶原酶、溶素和明胶酶。肿瘤坏死因子-α转化酶（TACE），一种促炎症细胞因子，催化膜结合的肿瘤坏死因子-α前体蛋白形成肿瘤坏死因子-α。因此，人们预期基质金属蛋白酶（MMPs）和TACE的小分子抑制剂可能具有治疗多种疾病状态的前景。本发明提供了低分子量、非肽类的基质金属蛋白酶（MMPs）和肿瘤坏死因子-α转化酶（TACE）的抑制剂，用于治疗关节炎、肿瘤转移、组织溃疡、异常伤口愈合、牙周病、骨病、糖尿病（胰岛素抵抗）和HIV感染。本发明中的化合物由以下公式表示： 其中R1、R2、R3和R4在本说明书中有所描述。
• [EN] 3-PHENYLSULPHONYL-QUINOLINE DERIVATIVES AS AGENTS FOR TREATING PATHOGENIC BLOOD VESSELS DISORDERS<br/>[FR] DÉRIVÉS DE 3-PHÉNYLSULFONYL-QUINOLÉINE EN TANT QU'AGENTS POUR LE TRAITEMENT DE TROUBLES DES VAISSEAUX SANGUINS PATHOGÈNES
  申请人：UNIV CALIFORNIA

  公开号：WO2021076886A1

  公开（公告）日：2021-04-22

  The disclosure provides compounds, and compositions, including pharmaceutical compositions, kits that include the compounds, and methods of using (or administering) and making the compounds. The disclosure further provides compounds or compositions thereof for use in a method of modulating PLXDC1 (TEM7) and/or PLXDC2 or killing pathogenic blood vessles. The disclosure further provides compounds or compositions thereof for use in a method of treating a disease, disorder, or condition that is mediated, at least in part, by PEDF receptors or by angiogenesis.

  该披露提供了化合物和组合物，包括药物组合物、包含这些化合物的试剂盒，以及使用（或给药）和制备这些化合物的方法。该披露进一步提供了用于调节PLXDC1（TEM7）和/或PLXDC2或杀灭病原性血管的方法中的化合物或其组合物。该披露还提供了用于治疗由PEDF受体或血管生成至少部分介导的疾病、紊乱或状况的方法中的化合物或其组合物。
• Pyrimidine derivatives as corticotropin releasing factor inhibitors
  申请人：——

  公开号：US20040229891A1

  公开（公告）日：2004-11-18

  The present invention relates to novel heterocyclic antagonists of Formula (I) and pharmaceutical compositions comprising said antagonists of the corticotropin releasing factor receptor (“CRF receptor”) 1 useful for the treatment of depression, anxiety, affective disorders, feeding disorders, post-traumatic stress disorder, headache, drug addiction, inflammatory disorders, drug or alcohol withdrawal symptoms and other conditions the treatment of which can be effected by the antagonism of the CRF-1 receptor.

  本发明涉及公式（I）的新型杂环拮抗剂，以及包含所述拮抗剂的催乳素释放因子受体（“CRF受体”）的药物组合物，用于治疗抑郁症、焦虑症、情感障碍、进食障碍、创伤后应激障碍、头痛、药物成瘾、炎症性疾病、药物或酒精戒断症状以及其他可以通过CRF-1受体拮抗来治疗的疾病。
• 一类新型砜酸衍生物、其制备方法及其作为药 物的用途
  申请人：中国药科大学

  公开号：CN106748922B

  公开（公告）日：2019-02-01

  本发明涉及一种通式(I)所示的新型砜酸衍生物、其制备方法及含有该衍生物的药物组合物作为制备治疗糖尿病和代谢综合症的药物用途。所述的砜酸衍生物具有优异的体内降血糖活性，其可以用于预防或治疗糖尿病。
• Acenaphthoimidazolylidene Gold Complex-Catalyzed Alkylsulfonylation of Boronic Acids by Potassium Metabisulfite and Alkyl Halides: A Direct and Robust Protocol To Access Sulfones
  作者：Haibo Zhu、Yajing Shen、Qinyue Deng、Jiangbo Chen、Tao Tu

  DOI：10.1021/acscatal.7b00860

  日期：2017.7.7

  A robust acenaphthoimidazolylidene gold complex is demonstrated as a highly efficient catalyst in the direct alkylsulfonylation of boronic acids. Remarkably, a wide range of highly reactive and unreactive C-electrophiles were well-tolerated to produce various (hetero)aryl-alkyl, aryl-alkenyl, and alkenyl-alkyl sulfones in satisfactory yields with 5 mol % catalyst loading. Along with the steric properties

  在硼酸的直接烷基磺酰化反应中，一种强效的ph啶咪唑基亚金络合物被证明是一种高效的催化剂。显着地，广泛耐受高反应性和非反应性的C-亲电子试剂，以令人满意的产率和5mol％的催化剂负载量产生各种（杂）芳基-烷基，芳基-烯基和烯基-烷基砜。除了NHC配体的空间特性外，这种金配合物的高催化活性还表明，ph啶咪唑基亚甲基的强σ供电在促进这一具有挑战性的氧化还原中性催化过程中也发挥了作用。