3-甲基-2-(甲硫基)苯并噻唑鎓对甲苯磺酸盐 | 55514-14-2

• 物质功能分类: 化学试剂 - 有机试剂
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: 3-甲基-2-(甲硫基)苯并噻唑鎓对甲苯磺酸盐
• 英文名称: 3-methyl-2-(methylthio)benzothiazolium tosylate
• 英文别名: 3-methyl-2-(methylthio)benzothiazolium p-toluenesulfonate；3-methyl-2-(methylthio)benzothiazol-3-ium p-toluenesulfonate；3-Methyl-2-(methylthio)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate；4-methylbenzenesulfonate;3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium
• CAS: 55514-14-2
• 化学式: C₇H₇O₃S*C₉H₁₀NS₂
• 分子量: 367.514
• InChiKey: SGABZOJLSUJGFH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.35
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  123
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 储存条件：
  2-8°C，惰性气体

反应信息

• 作为反应物：
  描述：

  3-甲基-2-(甲硫基)苯并噻唑鎓对甲苯磺酸盐 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 4.0h， 生成 (2Z,5E)-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(1-methylquinolin-1-ium-2-yl)methylidene]-1,3-thiazolidin-4-one;4-methylbenzenesulfonate
  参考文献：
  名称：

  Rhodacyanine Dyes as Antimalarials. 1. Preliminary Evaluation of Their Activity and Toxicity

  摘要：

  The rhodacyanine dye MKT-077 (1), a potent antitumor agent, was found to possess strong in vitro activity against Plasmodium falciparum and a low cytotoxicity. Several new rhodacyanine dyes related to 1, containing a variety of linked heterocyclic moieties, were synthesized, and their antimalarial potencies were evaluated. The synthetic rhodacyanines were found to have EC50 values against P. falciparum in vitro in the range of 4-300 nM. Several compounds in this series have remarkable selective toxicity profiles (> 100).

  DOI：

  10.1021/jm0155704
• 作为产物：
  描述：

  2-甲硫基苯并噻唑 在 碘甲烷 作用下， 生成 3-甲基-2-(甲硫基)苯并噻唑鎓对甲苯磺酸盐
  参考文献：
  名称：

  375.热量对含有烷硫基的杂环碱基的作用。第一部分.2-烷基硫代苯并噻唑和2-烷基硫代-苯并恶唑

  摘要：

  DOI：

  10.1039/jr9510001723

文献信息

• 2-[3H-THIAZOL-2-YLIDINEMETHYL]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE
  申请人：Brown Robert

  公开号：US20090247579A1

  公开（公告）日：2009-10-01

  The present invention pertains to certain 2-[3H-thiazol-2-ylidinemethyl]pyridine compounds and analogs thereof, which, inter alia, inhibit cell proliferation, treat cancer, etc., and more specifically to compounds of the following formula, wherein R A1 , R A2 , R A3 , R A4 , R B1 , R B2 , R NA , R NB , and X − are as defined herein: The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit cell proliferation, and in the treatment of proliferative conditions such as cancer, etc.

  本发明涉及某些2-[3H-噻唑-2-基亚甲基]吡啶化合物及其类似物，其中包括抑制细胞增殖、治疗癌症等作用，更具体地涉及以下式的化合物，其中R A1 、R A2 、R A3 、R A4 、R B1 、R B2 、R NA 、R NB 和X − 如本文所定义： 本发明还涉及包含这种化合物的药物组合物，以及在体外和体内使用这种化合物和组合物来抑制细胞增殖，并用于治疗癌症等增生性疾病。
• Synthesis of three classes of rhodacyanine dyes and evaluation of their in vitro and in vivo antimalarial activity
  作者：Khanitha Pudhom、Kazuki Kasai、Hiroki Terauchi、Hiroshi Inoue、Marcel Kaiser、Reto Brun、Masataka Ihara、Kiyosei Takasu

  DOI：10.1016/j.bmc.2006.08.035

  日期：2006.12

  0]-rhodacyanines, were synthesized and their in vitro antimalarial activities against Plasmodium falciparum K1 (chloroquine-resistant strain) as well as their in vivo activities against P. berghei in mice were determined. The novel [0,0,0]-rhodacynines, 3e and 3h, possessing a benzothiazole moiety, were shown to have highly promising antimalarial activities in vivo. Moreover, the [0,0,0]-rhodacyanines were found

  合成了三类罗丹菁染料[0,0]-，[1,0]-和[0,0,0]-罗丹菁的选定成员，它们对恶性疟原虫K1具有体外抗疟活性（对氯喹有抗性）确定了它们在小鼠中的抗性以及它们对伯氏疟原虫的体内活性。具有苯并噻唑部分的新型[0,0,0]-罗丹嘧啶3e和3h已显示出在体内具有非常有前途的抗疟活性。此外，发现[0,0,0]-罗丹菁是口服生物利用度的。
• Nucleic acid probes and methods to detect and/or quantify nucleic acid analytes
  申请人：PROLIGO, LLC

  公开号：US20030143591A1

  公开（公告）日：2003-07-31

  The invention comprises novel methods and strategies to detect and/or quantify nucleic acid analytes. The methods involve nucleic acid probes with covalently conjugated dyes, which are attached either at adjacent nucleotides or at the same nucleotide of the probe and novel linker molecules to attach the dyes to the probes. The nucleic acid probes generate a fluorescent signal upon hybridization to complementary nucleic acids based on the interaction of one of the attached dyes, which is either an intercalator or a DNA groove binder, with the formed double stranded DNA. The methods can be applied to a variety of applications including homogeneous assays, real-time PCR monitoring, transcription assays, expression analysis on nucleic acid microarrays and other microarray applications such as genotyping (SNP analysis). The methods further include pH-sensitive nucleic acid probes that provide switchable fluorescence signals that are triggered by a change in the pH of the medium.

  该发明包括检测和/或定量核酸分析物的新方法和策略。这些方法涉及具有共价结合染料的核酸探针，这些染料附着在探针的相邻核苷酸或同一核苷酸上，并涉及用于将染料连接到探针的新型连接分子。核酸探针在与互补核酸杂交时产生荧光信号，基于附着的染料之一（可以是插入剂或DNA沟结合剂）与形成的双链DNA的相互作用。这些方法可应用于各种应用，包括均相分析、实时PCR监测、转录分析、核酸微阵列上的表达分析以及其他微阵列应用，如基因分型（SNP分析）。该方法还包括pH敏感的核酸探针，提供可通过介质pH变化触发的可切换荧光信号。
• Novel 3-Methyl-2-alkylthio Benzothiazolyl-Based Ionic Liquids: Synthesis, Characterization, and Antibiotic Activity
  作者：Teng Zhang、Hao He、Jun Du、Zhi He、Shun Yao

  DOI：10.3390/molecules23082011

  日期：——

  first time. After structural identification, their melting point, solubility, and thermostability together with antibiotic activity were determined successively. As a result, 3-methyl-2-alkylthio benzothiazolyl p-toluene sulfonate was found to have the highest antibacterial activity among the three series of ILs. Meanwhile, it has a good solubility in water as well. On the basis of comprehensive comparison

  首次合成了三个系列的新型3-甲基-2-烷硫基苯并噻唑基离子液体（ILs）。结构鉴定后，依次测定它们的熔点，溶解度和热稳定性以及抗生素活性。结果，发现在三个系列的IL中，3-甲基-2-烷硫基苯并噻唑基对甲苯磺酸盐具有最高的抗菌活性。同时，它在水中也具有良好的溶解性。在与类似化合物进行全面比较的基础上，探讨并讨论了这些苯并噻唑类ILs的阳离子和阴离子对典型物理性能以及抗生素性能的影响，这对于最大程度地利用其结构可设计性达到各种目的是非常有益的。此外，
• Heterocyclic modulators of nuclear receptors
  申请人：——

  公开号：US20030212111A1

  公开（公告）日：2003-11-13

  Compounds, compositions and methods for modulating the activity of nuclear receptors are provided. In particular, heterocyclic compounds are provided for modulating the activity of farnesoid X receptor (FXR), liver X receptor (LXR) and/or orphan nuclear receptors. In certain embodiments, the compounds are thiazolidinone derivatives.

  提供了用于调节核受体活性的化合物、组合物和方法。具体来说，提供了用于调节法尼索醇X受体（FXR）、肝X受体（LXR）和/或孤儿核受体活性的杂环化合物。在某些实施例中，这些化合物是噻唑啉酮衍生物。

表征谱图