4-甲氧基苯-1,3-二磺酰氯 | 109139-47-1

• 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-甲氧基苯-1,3-二磺酰氯
• 英文名称: 2,4-dichlorosulfonylanisole
• 英文别名: 4-methoxybenzene-1,3-disulfonyl dichloride；4-methoxybenzene-1,3-disulfonyl chloride；4-Methoxy-benzol-1,3-disulfonylchlorid；Anisol-disulfonsaeure-(2.4)-dichlorid；1-Methoxy-benzol-disulfonsaeure-(2.4)-dichlorid
• CAS: 109139-47-1
• 化学式: C₇H₆Cl₂O₅S₂
• 分子量: 305.16
• InChiKey: NDRJNVFWUSRVGD-UHFFFAOYSA-N

物化性质

• 熔点：
  90-94 °C
• 沸点：
  454.2±35.0 °C(Predicted)
• 密度：
  1.634±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  94.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-甲氧基苯-1,3-二磺酰氯 在 chromium(VI) oxide 、 盐酸 、 氨 、 吡啶盐酸盐 、 锌 、 三氯氧磷 作用下， 以 1,4-二氧六环 、 溶剂黄146 、 苯 为溶剂， 反应 7.42h， 生成 2,4-bis(trifluoromethylsulfonyl)chlorobenzene
  参考文献：
  名称：

  Kondratenko, N. V.; Kolomeitsev, A. A.; Mogilevskaya, V. O., Journal of Organic Chemistry USSR (English Translation), 1986, p. 1547 - 1554

  摘要：

  DOI：
• 作为产物：
  描述：

  苯甲醚 在 氯磺酸 、 氯化亚砜 、 sodium chloride 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 9.0h， 生成 4-甲氧基苯-1,3-二磺酰氯
  参考文献：
  名称：

  20 种新型 1,3-苯二磺酰基哌嗪作为抗血小板药物的合成、体外细胞毒性和生物学评价

  摘要：

  为了发现结构新颖的抗血小板药物，扩大我们的研究范围，我们设计合成了20种1,3-苯二磺酰基哌嗪。这些目标化合物分为两大系列，即一系列4-甲氧基-1,3-苯二磺酰哌嗪1和4-乙氧基-1,3-苯二磺酰系列的哌嗪2. 分别以二磷酸腺苷（ADP）、花生四烯酸（AA）和胶原蛋白为诱导剂，采用Born比浊法筛选浓度为1.3 μM的所有目标化合物的体外抗血小板活性，阿司匹林和匹克胺为阳性控制药物。其中，5种化合物对胶原蛋白的活性高于匹克胺和阿司匹林。在ADP或AA通道中，选择抑制率大于33%的化合物，得到其相应的IC 50值。根据 IC 50, 一种化合物对 ADP 的体外活性高于匹克胺，对 AA 而言，两种化合物高于两种阳性对照药物，另两种化合物仅高于或等于阿司匹林。完成了对本研究涉及的化合物的构效关系的初步分析。此外，通过CCK-8方法对在一个或两个测试通道中表现出高活性的八种化合物进行了对小鼠成纤

  DOI：

  10.1016/j.bmc.2021.116390

文献信息

• Novel epoxide derivatives of allylarylphenols
  申请人：——

  公开号：US20020151731A1

  公开（公告）日：2002-10-17

  The present invention relates to novel epoxides having the formulas 1 where Y is a CO, CO 2 or SO 2 , AR is the same or different divalent unsubstituted or substituted aromatic, halogen-substituted aromatic or cyano-substituted aromatic hydrocarbon radical having from 6 to 20 carbon atoms, Z is a divalent hydrocarbon or ether radical having from 1 to 20 carbon atoms, including Y—Z—Y being CO, and R* is an alkyl, aryl, arylalkyl, alkoxy, aryloxy or arylalkoxy radical having from 0-20 carbon atoms. The epoxides of the present invention are useful in the formation of epoxy resins.

  本发明涉及具有以下公式的新环氧化合物：1其中Y是CO、CO2或SO2，AR是相同或不同的二价未取代或取代的芳香族、卤素取代的芳香族或氰基取代的芳香族碳氢化合物基团，其含有6至20个碳原子，Z是具有1至20个碳原子的二价碳氢化合物或醚基团，包括Y—Z—Y为CO，R*是具有0-20个碳原子的烷基、芳基、芳烷基、烷氧基、芳氧基或芳烷氧基。本发明的环氧化合物在形成环氧树脂时很有用。
• Hit-to-lead optimization of a benzene sulfonamide series for potential antileishmanial agents
  作者：Paul J. Koovits、Marco A. Dessoy、An Matheeussen、Louis Maes、Guy Caljon、Leonardo L. G. Ferreira、Rafael C. Chelucci、Simone Michelan-Duarte、Adriano D. Andricopulo、Simon Campbell、Jadel M. Kratz、Charles E. Mowbray、Luiz C. Dias

  DOI：10.1039/d0md00165a

  日期：——

  A series of benzene sulphonamides with good potency and selectivity against Leishmania spp. intracellular amastigotes was identified by high-throughput screening. Approximately 200 compounds were synthesized as part of a hit-to-lead optimization program. The potency of the series appears to be strongly dependent on lipophilicity, making the identification of suitable orally available candidates challenging

  一系列苯磺酰胺对利什曼原虫具有良好的效力和选择性。通过高通量筛选鉴定细胞内无鞭毛体。作为从命中到先导优化计划的一部分，合成了大约 200 种化合物。该系列的效力似乎强烈依赖于亲脂性，由于药代动力学较差，因此确定合适的口服候选药物具有挑战性。尽管没有确定临床候选者，但发现了可能的溶剂暴露区域，最好的例子是化合物29。正在进行的详细作用模式研究可能提供使用基于靶标的药物化学来克服当前系列的问题的机会。
• Synthesis and in vitro activities on anti-platelet aggregation of 4-methoxy-1,3-phthalamidesamides and benzenedisulfonamides
  作者：Guangling Chen、Chaoqing Wang、Zhihao Zhang、Xiujie Liu

  DOI：10.1007/s00044-019-02381-x

  日期：2019.9

  Cardiovascular diseases are the most frequent cause of morbidity and mortality worldwide. In order to discover novel compounds with anti-platelet aggregation activities, a series of novel 4-methoxy-1,3-phthalamidesamides (1a-1i) and a series of novel 4-methoxy-1,3-benzenedisulfon-amides (2a-2i) were synthesized and their anti-platelet aggregation activities were evaluated by the turbidimetric method in response to the following agonists: adenosine diphosphate (ADP), arachidonic acid (AA), and Collagen. Those compounds that have better in vitro activities were subjected to cell toxicity tests via cell counting kit-8 (CCK-8) assay. The inhibition rates of anti-platelet in vitro of five compounds 1g (39.45%), 2d (38.87%), 2g (38.55%), 2h (44.56%), and 2i (43.93%) were higher than that of two reference drugs picotamide (36.12%) and aspirin (38.45%) when ADP was selected as an inducer. The inhibition rates of seven compounds 1c (43.63%), 1d (40.02%), 1g (47.42%), 1i (40.45%), 2c (40.11%), 2d (40.45%), and 2i (49.05%) were higher than that of picotamide (34.89%) and aspirin (39.43%) when AA was selected as inducer. And the inhibition rates of five compounds 1d (47.22%), 1i (45.01%), 2d (38.74%), 2e (42.21%), and 2f (39.94%) were higher than picotamide (38.45%) and aspirin (37.08%) when collagen was selected as inducer. Moreover, the effect of cell toxicity exhibited that none of the compounds had obvious cell toxicity against L-929 cells. Therefore, 4-methoxy-1,3-phthalamidesamides (1a-1i) and 4-methoxy-1,3-benzenedisulfon-amides (2a-2i) have the potential to become a novel kind of anti-platelet drugs and deserve further study.
• Synthesis and in vitro activities on anti-platelet aggregation of N,N′-di(2-substituted-phenyl)-4-methoxy isophthalamides and benzene-1,3-disulfonamides
  作者：Xiu Jie Liu、Xin He、Cheng Ling Shi、Jie Meng、Ying Lu Shao、Hong Qiang Si、Tao Hu

  DOI：10.1016/j.cclet.2011.05.032

  日期：2011.7

  On the propose of searching for the SAR and obtaining novel antiplatelet aggregating drugs, we have described the synthesis procedure and the activities in vitro on antiplatelet aggregation of two series of derivatives, which contain both 18 N,N'-di(2-substitutedphenyl)-4-methoxyisophthalamides (2a-2r) of the 2 series and nine N,N'-di(2-substitutedphenyl)-4-methoxybenzene-1,3-disulfonamides (3a-3i) of the 3 series. The results showed that three compounds 2e, 2i and 3g emerged as significant activities of antiplatelet aggregation, superior to two reference drugs picotamide and aspirin, and eight compounds 2j, 2k, 2l, 2o, 2p, 2q, 2r and 3i merely superior to picotamide. The preliminary SAR shows that it is favorable for the 2 series to increase the activities via the steric hindrance substituents attached to the two side chain benzene rings at 2-positions. And the arylamides of the 2 series have better the activity values than the arylsulfonamides of the 3 series respective except for 3b and 3g. On the contrary, electrostatic factors would not contribute evidently to the activities of the two series. The structures of 15 compounds newly synthesized have been established by MS and H-1 NMR and been first reported in this paper. (C) 2011 Xiu Jie Liu. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.
• WO2008/129288
  申请人：——

  公开号：——

  公开（公告）日：——