5-(氯磺酰基)烟酸甲酯 | 594839-14-2

• 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: 5-(氯磺酰基)烟酸甲酯
• 英文名称: methyl 5-(chlorosulfonyl)pyridine-3-carboxylate
• 英文别名: Methyl 5-(chlorosulfonyl)nicotinate；methyl 5-chlorosulfonylpyridine-3-carboxylate
• CAS: 594839-14-2
• 化学式: C₇H₆ClNO₄S
• mdl: MFCD19160571
• 分子量: 235.648
• InChiKey: MRZZIJUGMGGPLK-UHFFFAOYSA-N

物化性质

• 沸点：
  359.0±27.0 °C(Predicted)
• 密度：
  1.498±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  81.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-(氯磺酰基)烟酸甲酯 在 lithium hydroxide 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 5-(Diethylsulfamoyl)pyridine-3-carboxylic acid
  参考文献：
  名称：

  Nicotinyl aspartyl ketones as inhibitors of caspase-3

  摘要：

  Caspase-3 is a cysteinyl protease that mediates apoptotic cell death. Its inhibition may have an important impact in the treatment of several degenerative diseases. Since P, aspartic acid is a required element of recognition for this enzyme, a library of capped aspartyl aldehydes was synthesized using solid-phase chemistry. The 5-bromonicotinamide derivative of the aspartic acid aldehyde was identified to be an inhibitor of caspase-3. Substitution at the 5-position of the pyridine ring and conversion of the aldehyde to ketones led to a series of potent inhibitors of caspase-3. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00390-1
• 作为产物：
  描述：

  5-(甲基硫代)烟酸甲酯 在 甲醇 、 氯 、 溶剂黄146 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 5-(氯磺酰基)烟酸甲酯
  参考文献：
  名称：

  Nicotinyl aspartyl ketones as inhibitors of caspase-3

  摘要：

  Caspase-3 is a cysteinyl protease that mediates apoptotic cell death. Its inhibition may have an important impact in the treatment of several degenerative diseases. Since P, aspartic acid is a required element of recognition for this enzyme, a library of capped aspartyl aldehydes was synthesized using solid-phase chemistry. The 5-bromonicotinamide derivative of the aspartic acid aldehyde was identified to be an inhibitor of caspase-3. Substitution at the 5-position of the pyridine ring and conversion of the aldehyde to ketones led to a series of potent inhibitors of caspase-3. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00390-1

文献信息

• [EN] BACE-2 INHIBITORY COMPOUNDS AND RELATED METHODS OF USE<br/>[FR] COMPOSÉS INHIBITEURS DE BACE-2 ET PROCÉDÉS D'UTILISATION ASSOCIÉS
  申请人：JORTAN PHARMACEUTICALS INC

  公开号：WO2017066742A1

  公开（公告）日：2017-04-20

  Provided herein are novel compounds of Formulae I-III, and methods of using the same to selectively inhibit BACE2.

  本文提供了一种新型化合物的公式I-III，以及使用这些化合物来选择性抑制BACE2的方法。
• [EN] COMPOSITIONS AND METHODS FOR DETERMINING THE PRESENCE OF ACTIVE LEUKOCYTE CELLS USING AN ELECTROCHEMICAL ASSAY<br/>[FR] COMPOSITIONS ET PROCÉDÉS POUR DÉTERMINER LA PRÉSENCE DE CELLULES LEUCOCYTAIRES ACTIVES À L'AIDE D'UN DOSAGE ÉLECTROCHIMIQUE
  申请人：PARVIZI SURGICAL INNOVATION LLC

  公开号：WO2020069176A1

  公开（公告）日：2020-04-02

  A substrate composition for leukocyte esterases comprising a monoester, said monoester being one of an α-amino acid ester or an α-hydroxy acid ester, with specificity for leukocyte esterases, said monoester having a first moiety for participating in a redox reaction, and a second moiety comprising an amine blocking or alcohol blocking group.

  一种用于白细胞酯酶的底物组合物，包括一种单酯，所述单酯是α-氨基酸酯或α-羟基酸酯之一，对白细胞酯酶具有特异性，所述单酯具有用于参与氧化还原反应的第一基团，以及包括胺阻滞或醇阻滞基团的第二基团。
• [EN] REDOX SUBSTRATES FOR LEUKOCYTE ESTERASE<br/>[FR] SUBSTRATS REDOX POUR LEUCOCYTE ESTÉRASE
  申请人：GORSKI WALDEMAR

  公开号：WO2019094575A1

  公开（公告）日：2019-05-16

  Certain embodiments are directed hydrophilic redox substrates for leukocyte esterase (LE). In certain aspects a hydrophilic redox leukocyte esterase substrate or a small molecule enzyme substrate for use in methods and/or devices to electrochemically detect and/or measure LE activity in a sample.

  某些实施例涉及亲水性氧化还原底物，用于白细胞酯酶（LE）的检测。在某些方面，提供了一种亲水性氧化还原白细胞酯酶底物或小分子酶底物，用于在样品中电化学地检测和/或测量LE活性的方法和/或装置。
• Synthesis and Characterization of Pyridine Compounds for Amperometric Measurements of Leukocyte Esterase
  作者：Douglas Hanson、Travis Menard、Teresa Blazek、Stanton McHardy、Waldemar Gorski

  DOI：10.1002/cbic.201800164

  日期：2018.7.16

  equal to 2.7, 3.8, and 5.8×105  m-1  s-1 for compounds containing the pyridine (I), methoxypyridine (II), and (methoxycarbonyl)pyridine (III), respectively, thus showing an increase in catalytic efficiency in this order. Compound III had the lowest octanol/water partition coefficient (log p=0.33) along with the highest topological surface area (tPSA=222 Å2 ) and the best aqueous solubility (4.0 mg mL-1

  我们为白细胞酯酶（LE）引入了一类新的底物（化合物I-III），这些底物与LE反应，产生与LE活性成正比的阳极电流。酶促反应的动力学常数Km和kcat通过在玻璃碳电极上的安培法测定。I-III对LE的结合亲和力比现有的光学LE底物好两个数量级。对于含有吡啶（I），甲氧基吡啶（II）和（甲氧基羰基）吡啶（III）的化合物，特异性常数kcat / Km分别等于2.7、3.8和5.8×105 m-1 s-1。以此顺序提高催化效率。化合物III具有最低的辛醇/水分配系数（log p = 0.33），以及最高的拓扑表面积（tPSA = 222Å2）和最佳的水溶性（4.0 mg mL-1）。
• SUBSTITUTED (E)-N'-(1-PHENYLETHYLIDENE)BENZOHYDRAZIDE ANALOGS AS HISTONE DEMETHYLASE INHIBITORS
  申请人：Vankayalapati Hariprasad

  公开号：US20140163017A1

  公开（公告）日：2014-06-12

  In one aspect, the invention relates to substituted (E)-N′-(1-phenylethylidene)benzohydrazide analogs, derivatives thereof, and related compounds, which are useful as inhibitors of lysine-specific histone demethylase, including LSD1; synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of using the compounds and compositions to treat disorders associated with dysfunction of the LSD1. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  在一个方面，本发明涉及取代的(E)-N′-(1-苯乙烯基)苯肼类似物、其衍生物和相关化合物，它们可用作赖氨酸特异性组蛋白去甲基化酶，包括LSD1的抑制剂；制备这些化合物的合成方法；含有这些化合物的制药组合物；以及使用这些化合物和组合物治疗与LSD1功能障碍相关的疾病的方法。本摘要旨在作为搜索特定技术领域的扫描工具，不旨在限制本发明。