[(1-甲基-1H-咪唑-2-基)磺酰基]乙酸 | 71370-42-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: [(1-甲基-1H-咪唑-2-基)磺酰基]乙酸
• 英文名称: 1-Methylimidazol-2-yl)thioglycolsaeure
• 英文别名: (1-methyl-1H-imidazol-2-ylsulfanyl)-acetic acid；(1-methyl-1H-imidazol-2-ylmercapto)-acetic acid；(1-Methyl-1H-imidazol-2-ylmercapto)-essigsaeure；[(1-methyl-2-imidazolyl)thio]acetic acid；[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetic acid；2-(1-methylimidazol-2-yl)sulfanylacetic acid
• CAS: 71370-42-8
• 化学式: C₆H₈N₂O₂S
• mdl: MFCD02257972
• 分子量: 172.208
• InChiKey: AGPAPZHHJYBAGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  80.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933290090

反应信息

• 作为反应物：
  描述：

  [(1-甲基-1H-咪唑-2-基)磺酰基]乙酸 在 乙酸酐 作用下， 反应 0.05h， 生成 7-methyl-2-[(1-methyl-1H-imidazol-2-ylsulfanyl)-acetyl]-3-oxo-2,3-dihydro-imidazo[2,1-b]thiazolium betaine
  参考文献：
  名称：

  Mesoionic compounds. 49. Ring annulation with heterocyclic ylides. Annulation of pyridones to the imidazole and 1,2,4-triazole systems

  摘要：

  DOI：

  10.1021/jo01336a013
• 作为产物：
  描述：

  [(1-甲基-2-咪唑基)硫代]乙酸乙酯 在 盐酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成 [(1-甲基-1H-咪唑-2-基)磺酰基]乙酸
  参考文献：
  名称：

  Derivatives of 2-amino-1,2,3,4-tetrahydronaphthalene active on the

  摘要：

  该公式化合物为：##STR1## 其中R为氢原子或OY基团；R.sub.1为氢原子或OY'基团；R.sub.2为氢原子或OY"基团；但要求R、R.sub.1和R.sub.2中至少有一个是氢，且R、R.sub.1和R.sub.2不同时为氢原子，且R.sub.1和R.sub.2不同时为OY'或OY"基团；m为整数1或2；n为整数3至8；p为整数2、3或4；R.sub.3为氢原子或C.sub.1-C.sub.4烷基；R.sub.4为苯环，可选择地被卤素原子或C.sub.1-C.sub.3烷基或烷氧基取代，或含有氧、氮和硫等一种或多种杂原子的5-或6-成员杂环芳基，可选择地被卤素原子、羟基、C.sub.1-C.sub.3烷基或烷氧基取代；X为CH.sub.2、NH、S、SO、SO.sub.2、CO、CF.sub.2、O，当R.sub.4为5-或6-成员杂环芳基时，X也可以是一个单键。描述了药用可接受的盐。公式(I)的化合物在治疗动脉高压和心力衰竭、肾功能不全、周围动脉病和脑血管功能不全方面是有用的。

  公开号：

  US05747513A1

文献信息

• Development of a Biomimetic Enzyme-linked Immunosorbent Assay Method for the Determination of Methimazole in Urine Sample
  作者：Jun-Ping Wang、Wei-Wei Tang、Guo-Zhen Fang、Ming-Fei Pan、Shuo Wang

  DOI：10.1002/jccs.201190007

  日期：2011.8

  A fast and direct competitive biomimetic enzyme‐linked immunosorbent assay (BELISA) method was developed for the determination of methimazole (MMZ) in urine sample based on a molecularly imprinted film as an artificial antibody. This is the first example to monitor methimazole with a direct competitive biomimetic enzyme‐linked immunosorbent assay (BELISA) method. The imprinted film was directly synthesized

  建立了一种快速直接竞争的仿生酶联免疫吸附测定（BELISA）方法，以分子印迹膜为人工抗体，用于测定尿液样品中的甲巯咪唑（MMZ）。这是第一个通过直接竞争仿生酶联免疫吸附测定（BELISA）方法监测甲巯咪唑的实例。印迹膜直接在MaxiSorp聚苯乙烯96孔板的孔表面上合成并进行了表征。结果表明，它表现出类似抗体的结合能力，快速的吸附速度，高稳定性，这是特别有利的，并且适合BELISA的开发。本文建立的BELISA方法对MMZ的选择性高于对结构相关化合物和IC 50的选择性（以抑制发色50％的浓度计算），在最佳实验条件下的检测极限值分别为70±4μgL -1和0.9±0.04μgL -1。该方法用于加标尿样中MMZ的测定，回收率在90％到95％之间，并且可以重复使用20次而不会降低灵敏度。通过BELISA获得的结果与通过高效液相色谱（HPLC）方法获得的结果非常相关。
• Chemokine receptor binding compounds
  申请人：Zhou Yuanxi

  公开号：US20090099205A1

  公开（公告）日：2009-04-16

  The present invention relates to chemokine receptor binding compounds, pharmaceutical compositions and their use. More specifically, the present invention relates to modulators of chemokine receptor activity, preferably modulators of CCR5. These compounds demonstrate protective effects against infection of target cells by a human immunodeficiency virus (HIV).

  本发明涉及化学因子受体结合化合物、制药组合物及其使用。更具体地，本发明涉及化学因子受体活性调节剂，优选为CCR5的调节剂。这些化合物表现出对人类免疫缺陷病毒（HIV）感染靶细胞的保护作用。
• CHEMOKINE RECEPTOR BINDING COMPOUNDS
  申请人：ZHOU Yuanxi

  公开号：US20100298366A1

  公开（公告）日：2010-11-25

  The present invention relates to chemokine receptor binding compounds, pharmaceutical compositions and their use. More specifically, the present invention relates to modulators of chemokine receptor activity, preferably modulators of CCR5. These compounds demonstrate protective effects against infection of target cells by a human immunodeficiency virus (HIV).

  本发明涉及化学因子受体结合化合物、制药组合物及其使用。更具体地，本发明涉及化学因子受体活性调节剂，优选为CCR5的调节剂。这些化合物表现出对人类免疫缺陷病毒（HIV）感染靶细胞的保护效果。
• Structure-Based Design of β-Lactamase Inhibitors. 1. Synthesis and Evaluation of Bridged Monobactams
  作者：Ingrid Heinze-Krauss、Peter Angehrn、Robert L. Charnas、Klaus Gubernator、Eva-Maria Gutknecht、Christian Hubschwerlen、Malgosia Kania、Christian Oefner、Malcolm G. P. Page、Satoshi Sogabe、Jean-Luc Specklin、Fritz Winkler

  DOI：10.1021/jm980023c

  日期：1998.10.1

  Bridged monobactams are novel, potent, mechanism-based inhibitors of class C beta-lactamases, designed using X-ray crystal structures of the enzymes. They stabilize the acyl-enzyme intermediate by blocking access of water to the enzyme-inhibitor ester bond. Bridged monobactams are selective class C beta-lactamase inhibitors, with half-inhibition constants as low as 10 nM, and are less effective against class A and class B enzymes (half-inhibition constants > 100 mu M) because of the different hydrolysis mechanisms in these classes of beta-lactamases. The stability of the acyl-enzyme complexes formed with class C beta-lactamases (half-lives up to 2 days were observed) enabled determination of their crystal structures. The conformation of the inhibitor moiety was close to that predicted by molecular modeling, confirming a simple reaction mechanism, unlike those of known beta-lactamase inhibitors such as clavulanic acid and penam sulfones, which involve secondary rearrangements. Synergy between the bridged monobactams and beta-lactamase-labile antibiotics could be observed when such combinations were tested against strains of Enterobacteriaceae that produce large amounts of class C beta-lactamases. The minimal inhibitory concentration of the antibiotic of more than 64 mg/L could be decreased to 0.25 mg/L in a 1:4 combination with the inhibitor.
• 74. Anhydro-compounds from nitrogen-containing derivatives of thioglycollic acid. Part II. Glyoxaline and benziminazole compounds
  作者：G. F. Duffin、J. D. Kendall

  DOI：10.1039/jr9560000361

  日期：——