2-(乙硫基)吡啶-3-甲酰氯 | 123116-01-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2-(乙硫基)吡啶-3-甲酰氯
• 中文别名: 2-(乙基硫代)烟酰氯
• 英文名称: 2-(ethylsulfanyl)pyridine-3-carbonyl chloride
• 英文别名: 2-(Ethylthio)Nicotinoyl Chloride；2-ethylsulfanylpyridine-3-carbonyl chloride
• CAS: 123116-01-8
• 化学式: C₈H₈ClNOS
• mdl: MFCD00051679
• 分子量: 201.677
• InChiKey: HVBVEALTDTVCAO-UHFFFAOYSA-N

物化性质

• 熔点：
  53 °C
• 沸点：
  307.5±27.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  55.3
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• 危险品运输编号：
  UN 3261

反应信息

• 作为反应物：
  描述：

  2-(乙硫基)吡啶-3-甲酰氯 在 bis(2-methoxyethyl) azodicarboxylate 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 生成 2-(2-ethylsulfanylpyridin-3-yl)-6-(trifluoromethyl)oxazolo[ 5,4-b]pyridine
  参考文献：
  名称：

  FUSED HETEROCYCLIC COMPOUND

  摘要：

  公开号：

  EP2857397B1

文献信息

• 1-acyl-2,3-dihydro-4(1H)-quinolinone-4-oxime derivatives, process for
  申请人：Mochida Pharmaceutical Co., Ltd.

  公开号：US04968680A1

  公开（公告）日：1990-11-06

  The present invention relates to novel 1-acyl-2,3-dihydro-4(1H)-quinolinone-4-oxime-O-sulfonic acid compound, processes for producing said compounds, intermediate compounds to produce said compounds and compositions containing said compounds with potent diuretic activity that can be used for treating and/or preventing hypertension, oedema and/or for removing ascites. The present invention is based on the selection of 1-acyl-7-halo-2,3-dihydro-4(1H)-quinolinone-4-oxime-O-sulfonic acid compounds, namely heterocyclic-or fused heterocyclic- carbonyl derivatives at 1 position. The compounds of the present invention containing these substituents have potent hypotensive, antioedematous and diuretic effect as well as an activity to remove ascites and are extremely useful for the treatment of diseases and disorders mentioned above.

  本发明涉及一种新型的1-酰基-2,3-二氢-4(1H)-喹啉酮-4-肟-O-磺酸化合物，制备该化合物的方法，制备该化合物的中间体化合物以及含有该化合物的具有强效利尿活性的组合物，可用于治疗和/或预防高血压、水肿和/或去除腹水。本发明基于选择1-酰基-7-卤代-2,3-二氢-4(1H)-喹啉酮-4-肟-O-磺酸化合物，即1位上的杂环或融合杂环羰基衍生物。包含这些取代基的本发明化合物具有强效的降压、抗水肿和利尿效应，以及去除腹水的活性，极其有用于治疗上述疾病和障碍。
• Substituted anilinic piperidines as MCH selective antagonists
  申请人：Marzabadi R. Mohammad

  公开号：US20070043080A1

  公开（公告）日：2007-02-22

  This invention is directed to compounds which are selective antagonists for melanin concentrating hormone-1 (MCH1) receptors. The invention provides a pharmaceutical composition comprising a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier. This invention provides a pharmaceutical composition made by combining a therapeutically effective amount of the compound of this invention and a pharmaceutically acceptable carrier. This invention further provides a process for making a pharmaceutical composition comprising combining a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier.

  本发明涉及选择性拮抗黑色素浓集激素-1（MCH1）受体的化合物。本发明提供了一种药物组合物，包括本发明化合物的治疗有效量和药学上可接受的载体。本发明提供了一种由本发明化合物的治疗有效量和药学上可接受的载体组成的药物组合物。本发明还提供了一种制备药物组合物的方法，包括将本发明化合物的治疗有效量和药学上可接受的载体组合。
• 1-acyl-2,3-dihydro-4(1H)-quinolinone-4-oxime derivatives, process for producing them and use thereof
  申请人：MOCHIDA PHARMACEUTICAL CO., LTD.

  公开号：EP0315115A2

  公开（公告）日：1989-05-10

  The present invention relates to novel 1-acyl-2,3-dihydro-4(1H)-quinoiinone-4-oxime-0-sulfonic acid compound, processes for producing said compounds, intermediate compounds to produce said compounds and compositions containing said compounds with potent diuretic activity that can be used for treating and/or preventing hypertension, oedema and/or for removing ascites. The present invention is based on the selection of 1-acyl-7-halo-2,3-dihydro-4(1H)-quinolinone-4-oxime-O-sulfonic acid compounds, namely heterocyclic-or fused heterocyclic- carbonyl derivatives at 1 position. The compounds of the present invention containing these substituents have potent hypotensive, anti- oedematous and diuretic effect as well as an activity to remove ascites and are extremely useful for the treatment of diseases and disorders mentioned above.

  本发明涉及新型1-酰基-2,3-二氢-4(1H)-喹啉酮-4-肟-0-磺酸化合物、生产所述化合物的工艺、生产所述化合物的中间化合物和含有所述化合物的组合物，所述化合物具有强效利尿活性，可用于治疗和/或预防高血压、水肿和/或去除腹水。 本发明的基础是选择 1-酰基-7-卤-2,3-二氢-4(1H)-喹啉酮-4-肟-O-磺酸化合物，即 1 位上的杂环或融合杂环羰基衍生物。 含有这些取代基的本发明化合物具有强效降血压、抗水肿和利尿作用，并具有清除腹水的活性，对治疗上述疾病和失调极为有用。
• High-Throughput Catch-and-Release Synthesis of Oxazoline Hydroxamates. Structure−Activity Relationships in Novel Inhibitors of <i>Escherichia </i><i>c</i><i>oli</i> LpxC:  In Vitro Enzyme Inhibition and Antibacterial Properties
  作者：Michael C. Pirrung、L. Nathan Tumey、Amanda L. McClerren、Christian R. H. Raetz

  DOI：10.1021/ja0209114

  日期：2003.2.1

  LpxC is a zinc amidase that catalyses the second step of lipid A biosynthesis in Gram-negative bacteria. Oxazolines incorporating a hydroxamic acid, which is believed to coordinate to the single essential zinc ion, at the 4-position are known inhibitors of this enzyme. Some of these enzyme inhibitors exhibit antibacterial activity through their inhibition of LpxC. We recently developed a method for the synthesis of oxazolines using resin capture and ring-forming release that eliminates traditional purification steps and can be used in high-throughput synthesis. Using our method, oxazoline hydroxamates with diverse 2-substituents were prepared in library form as candidate inhibitors for LpxC. Two conventional methods for oxazoline synthesis were also applied to generate more than 70 compounds. The groups at the 2-position included a wide variety of substituted aromatic rings and a limited selection of alkyl groups. These compounds were screened against wild-type and LpxC inhibitor-sensitive strains of Escherichia coli, as well as wildtype Pseudomonas aeruginosa. Inhibition of the E coli LpxC enzyme was also investigated. A broad correlation between enzyme inhibitory and antibacterial activity was observed, and novel compounds were discovered that exhibit antibacterial activity but fall outside earlier-known structural classes.
• Solid phase combinatorial synthesis of benzothiazoles and evaluation of topoisomerase II inhibitory activity
  作者：Suk-June Choi、Hyen Joo Park、Sang Kook Lee、Sang Woong Kim、Gyoonhee Han、Hea-Young Park Choo

  DOI：10.1016/j.bmc.2005.09.051

  日期：2006.2

  To investigate one possible mechanism of action of the cytotoxic activity of benzothiazoles, we synthesized 2-(substituted-phenyl)benzothiazoles and evaluated their ability to inhibit topoisomerase 11 activities. Solid phase combinatorial method using trityl resin was employed and benzothiazole derivatives with Various substitution on 2'-, 3'-, or 4'-position of phenyl group were obtained in ca. 30 mg scale (7-96% yield). Most of the compounds synthesized exhibited topoisomerase 11 inhibitory activity at 100 mu M. 2-(3-Amino-4-methylphenyl)benzothiazole showed high activity (IC50 = 71.7 mu M), comparable to etoposide (IC50 = 78.4 mu M). (c) 2005 Elsevier Ltd. All rights reserved.

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