2-甲基-5-(4-甲基苯基)-1,3-苯并噻唑 | 157059-80-8

• 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: 2-甲基-5-(4-甲基苯基)-1,3-苯并噻唑
• 英文名称: 2-methyl-5-p-tolylbenzothiazole
• 英文别名: 2-Methyl-5-(4-methylphenyl)-1,3-benzothiazole
• CAS: 157059-80-8
• 化学式: C₁₅H₁₃NS
• 分子量: 239.341
• InChiKey: ABMIKBBLCOPCOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  41.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,5-二溴硝基苯 在 sodium sulfide 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 sulfur 、 溶剂黄146 、 锌 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 9.5h， 生成 2-甲基-5-(4-甲基苯基)-1,3-苯并噻唑
  参考文献：
  名称：

  Bumagin; Nikitina; Beletskaya, Russian Journal of Organic Chemistry, 1996, vol. 32, # 12, p. 1803 - 1811

  摘要：

  DOI：

文献信息

• Highly Efficient Suzuki–Miyaura Coupling of Heterocyclic Substrates through Rational Reaction Design
  作者：Christoph A. Fleckenstein、Herbert Plenio

  DOI：10.1002/chem.200701877

  日期：2008.5.9

  the presence of 0.5 mol % of catalyst, and S-heterocyclic aryl chlorides and aryl- or 3-pyridylboronic acids required 0.01-0.05 mol % Pd catalyst for full conversion. The key to the high activity of the Pd-phosphine catalyst is the rational design of the reaction parameters (i.e., the presence of water in the reaction mixture, good solubility of reactants and catalyst in n-butanol/water (3:1), and

  由简单的市售起始原料通过三个步骤以64％的总收率合成了二环己基（2-磺基-9-（3-（4-磺基苯基）丙基）-9H-芴-9-基）phosph盐。从相应的膦和[Na（2）PdCl（4）]获得的高度水溶性的催化剂使各种N和S杂环底物的Suzuki偶联成为可能。在水/正丁醇溶剂混合物中，在0.005-0.05 mol％Pd催化剂存在下，于100摄氏度下，氯吡啶（-喹啉）和芳基氯与芳基，吡啶或吲哚硼酸按定量收率偶合，氯嘌呤定量铃木在0.5 mol％的催化剂和S-杂环芳基氯化物以及芳基或3-吡啶基硼酸的存在下偶联需要0.01-0.05 mol％的Pd催化剂才能完全转化。
• HEPATITIS C VIRUS INHIBITORS
  申请人：Qiu Yao-Ling

  公开号：US20110064697A1

  公开（公告）日：2011-03-17

  The present invention discloses compounds of Formula (I), or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit RNA-containing virus, particularly the hepatitis C virus (HCV). Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention. The present invention relates to novel antiviral compounds represented herein above, pharmaceutical compositions comprising such compounds, and methods for the treatment or prophylaxis of viral (particularly HCV) infection in a subject in need of such therapy with said compounds.

  本发明揭示了Formula (I)的化合物，或其药用盐、酯或前药：这些化合物抑制RNA含量病毒，特别是丙型肝炎病毒（HCV）。因此，本发明的化合物干扰丙型肝炎病毒的生命周期，并且也可用作抗病毒剂。本发明进一步涉及含有上述化合物的药物组合物，用于治疗患有HCV感染的受试者。该发明还涉及通过给予含有本发明化合物的药物组合物来治疗受试者的HCV感染的方法。本发明涉及上述新型抗病毒化合物，含有这些化合物的药物组合物，以及用这些化合物治疗或预防受试者（特别是HCV）感染的病毒的方法。
• Method for Determining the Activity of a Protease in a Sample
  申请人：Blomgren Anders

  公开号：US20100021940A1

  公开（公告）日：2010-01-28

  There is provided a method for determining the activity of a protease in a sample. The method comprises (i) admixing said sample with a substrate, wherein the substrate has the formula (1a) wherein: R 1 is a hydrocarbyl group; R 2 is a first peptide moiety; R 3 is a second peptide moiety and X is selected from the group consisting of O, S and NH; Y 1 is a suitable substituent; Y 2 is a suitable substituent; and (ii) determining the activity of said protease by detecting the presence of a reporter having the formula H—X—R 1 , wherein: X is selected from the group consisting of O, S and NH; R 1 is a hydrocarbyl group. The substrate and reporter are useful for determining the efficacy of protease-modulators and candidate protease-modulators and in the diagnosis of a disease or disorder in a subject.

  提供了一种测定样品中蛋白酶活性的方法。该方法包括（i）将所述样品与底物混合，其中所述底物具有式（1a），其中：R1是一个烃基；R2是第一肽基；R3是第二肽基，X选自O、S和NH组成的群；Y1是适当的取代基；Y2是适当的取代基；和（ii）通过检测具有式H-X-R1的报告物的存在来确定所述蛋白酶的活性，其中：X选自O、S和NH组成的群；R1是一个烃基。该底物和报告物有助于确定蛋白酶调节剂和候选蛋白酶调节剂的功效，并用于诊断主体的疾病或障碍。
• Bumagin; Nikitina; Beletskaya, Russian Journal of Organic Chemistry, 1996, vol. 32, # 12, p. 1803 - 1811
  作者：Bumagin、Nikitina、Beletskaya

  DOI：——

  日期：——