(吡啶-2-基磺酰基)乙酸 | 10002-29-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: (吡啶-2-基磺酰基)乙酸
• 英文名称: (2-pyridylthio)acetic acid
• 英文别名: 2-Pyridylthio-essigsaeure；2-Pyridin-1-ium-2-ylsulfanylacetate
• CAS: 10002-29-6
• 化学式: C₇H₇NO₂S
• mdl: MFCD00276114
• 分子量: 169.204
• InChiKey: IGJFLPNTKLFHMW-UHFFFAOYSA-N

物化性质

• 熔点：
  136-137℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 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：
  75.5
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933399090
• 储存条件：
  2-8℃，保持干燥

反应信息

• 作为反应物：
  描述：

  (吡啶-2-基磺酰基)乙酸 在 吡啶 、 tetraphosphorus decasulfide 作用下， 以 乙酸酐 为溶剂， 反应 0.83h， 生成 3-oxo-2-(pyridin-2-ylsulfanyl-thioacetyl)-2,3-dihydro-thiazolo[3,2-a]pyridinylium betaine
  参考文献：
  名称：

  Mesoionic compounds with a bridging nitrogen atom

  摘要：

  DOI：

  10.1007/bf00509793
• 作为产物：
  描述：

  2-巯基吡啶 在 氯仿 、 氯乙酸 作用下， 生成 (吡啶-2-基磺酰基)乙酸
  参考文献：
  名称：

  Marckwald; Klemm; Trabert, Chemische Berichte, 1900, vol. 33, p. 1556

  摘要：

  DOI：

文献信息

• Screening of ligands for the Ullmann synthesis of electron-rich diaryl ethers
  作者：Nicola Otto、Till Opatz

  DOI：10.3762/bjoc.8.122

  日期：——

  In the search for new ligands for the Ullmann diaryl ether synthesis, permitting the coupling of electron-rich aryl bromides at relatively low temperatures, 56 structurally diverse multidentate ligands were screened in a model system that uses copper iodide in acetonitrile with potassium phosphate as the base. The ligands differed largely in their performance, but no privileged structural class could

  在为 Ullmann 二芳基醚合成寻找新配体的过程中，允许在相对较低的温度下偶联富含电子的芳基溴化物，在一个模型系统中筛选了 56 个结构不同的多齿配体，该模型系统使用乙腈中的碘化铜，以磷酸钾为碱. 配体的性能差异很大，但无法确定特殊的结构类别。
• Model System for High-Throughput Screening of Novel Human Immunodeficiency Virus Protease Inhibitors in <i>Escherichia coli</i>
  作者：Ting-Jen Cheng、Ashraf Brik、Chi-Huey Wong、Chen-Chen Kan

  DOI：10.1128/aac.48.7.2437-2447.2004

  日期：2004.7

  Novel human immunodeficiency virus (HIV) protease inhibitors are urgently needed for combating the drug-resistance problem in the fight against AIDS. To facilitate lead discovery of HIV protease inhibitors, we have developed a safe, convenient, and cost-effective Escherichia coli -based assay system. This E. coli -based system involves coexpression of an engineered β-galactosidase as an HIV protease substrate and the HIV protease precursor comprising the transframe region and the protease domain. Autoprocessing of the HIV protease precursor releases the mature HIV protease. Subsequently, the HIV protease cleaves β-galactosidase, resulting in a loss of the β-galactosidase activity, which can be detected in high-throughput screens. Using Food and Drug Administration-approved HIV protease inhibitors, this E. coli -based system is validated as a surrogate screening system for identifying inhibitors that not only possess inhibitory activity against HIV protease but also have solubility and permeability for in vivo activity. The usefulness of the E. coli -based system was demonstrated with the identification of a novel HIV protease inhibitor from a library of compounds that were prepared by an amide-forming reaction with transition-state analog cores. A novel inhibitor with a sulfonamide core of amprenavir, E2, has shown good correlation with the in vitro enzymatic assay and in vivo E. coli -based system. This system can also be used to generate drug resistance profiles that could be used to suggest therapeutic uses of HIV protease inhibitors to treat the drug-resistant HIV strains. This simple yet efficient E. coli system not only represents a screening platform for high-throughput identification of leads targeting the HIV proteases but also can be adapted to all other classes of proteases.

  摘要 在抗击艾滋病的过程中，迫切需要新型人类免疫缺陷病毒（HIV）蛋白酶抑制剂来解决耐药性问题。为了促进 HIV 蛋白酶抑制剂的先导发现，我们开发了一种安全、方便且经济有效的 基于大肠杆菌 -检测系统。这种 大肠杆菌 -基于大肠杆菌的这一系统包括共同表达作为 HIV 蛋白酶底物的工程化 β-半乳糖苷酶和由转框区和蛋白酶结构域组成的 HIV 蛋白酶前体。艾滋病毒蛋白酶前体的自动处理会释放出成熟的艾滋病毒蛋白酶。随后，HIV蛋白酶会裂解β-半乳糖苷酶，导致β-半乳糖苷酶活性丧失，这可在高通量筛选中检测到。利用食品与药物管理局批准的艾滋病毒蛋白酶抑制剂，该 大肠杆菌 -系统被验证为一种替代筛选系统，可用于鉴定不仅对 HIV 蛋白酶具有抑制活性，而且具有溶解性和渗透性的体内活性抑制剂。大肠杆菌 大肠杆菌 -通过与过渡态类似物核心进行酰胺化反应制备的化合物库中鉴定出一种新型 HIV 蛋白酶抑制剂，证明了基于大肠杆菌的系统的实用性。一种以安非那韦为磺酰胺核心的新型抑制剂 E2 与体外酶测定和体内 大肠杆菌 -系统有很好的相关性。该系统还可用于生成耐药性图谱，从而建议使用艾滋病毒蛋白酶抑制剂治疗耐药艾滋病毒菌株。这种简单而高效的 大肠杆菌 系统不仅是高通量鉴定针对 HIV 蛋白酶的新药的筛选平台，还可用于所有其他类别的蛋白酶。
• [EN] MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND METHODS OF USE<br/>[FR] ANTAGONISTES VIS-A-VIS DU RECEPTEUR D'HORMONE DE MELANO-CONCENTRATION (MCH), ET PROCEDES D'UTILISATION
  申请人：UNIV CALIFORNIA

  公开号：WO2005094817A1

  公开（公告）日：2005-10-13

  This invention relates generally to methods and compositions useable to a) block or antagonize melanin-concentrating hormone (MCH) receptors and/or b) decrease food intake or c) treat a disorder such as obesity, a metabolic disorder, an eating disorder, depression or urinary incontinence. Compositios of this invention include N-benzylamino cyclic thioureas, pharmaceutical preparations containing them, and their use as antagonists of (MCH receptor) and/or for other therapeutic or diagnostic purposes.

  本发明涉及一般用于a）阻止或拮抗黑色素浓集激素（MCH）受体和/或b）降低食物摄入或c）治疗肥胖症、代谢紊乱、进食障碍、抑郁症或尿失禁等疾病的方法和组合物。本发明的组合物包括N-苄基氨基环硫脲、含有它们的制药制剂以及它们作为（MCH受体）拮抗剂和/或其他治疗或诊断目的的用途。
• 2-Benzimidazolylalkylthio (or -sulfinyl or -sulfonyl) derivatives, their
  申请人：501 Laboratorios Del, Dr. Esteve

  公开号：US04791114A1

  公开（公告）日：1988-12-13

  The present invention relates to new benzimidazole derivatives, to the process for preparing them and also to their application as medicinal products. The 2-alkylbenzimidazole derivatives according to the present invention correspond to the general formula I ##STR1## and also their therapeutically acceptable salts, in which the substituents are as defined in the specification.

  本发明涉及新的苯并咪唑衍生物，其制备过程以及它们作为药物的应用。根据本发明，2-烷基苯并咪唑衍生物对应于一般式I ##STR1## 以及其治疗上可接受的盐，其中取代基如规范中所定义。
• Macrolide antibiotics
  申请人：Alihodzic Sulejman

  公开号：US20050215495A1

  公开（公告）日：2005-09-29

  The present invention relates to 11,12 γ lactone ketolides of formula (I) wherein R, R 1 , R 2 , R 3 are as defined herein and pharmaceutically acceptable salts and solvates thereof, to process for their preparation and their use in therapy or prophylaxis of systemic or topical bacterial infections in a human or animal body.

  本发明涉及式（I）的11,12γ内酯酮类药物，其中R，R1，R2，R3如本文所定义，并且其药学上可接受的盐和溶剂合物，以及其制备过程和在人体或动物体内治疗或预防系统性或局部细菌感染中的用途。