2-methyl-5-(phenylthio)benzo[d]thiazole | 24075-94-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-methyl-5-(phenylthio)benzo[d]thiazole
• 英文别名: 2-Methyl-5-(phenylthio)benzothiazol；2-methyl-5-phenylsulfanyl-benzothiazole；2-Methyl-5-phenylsulfanyl-1,3-benzothiazole
• CAS: 24075-94-3
• 化学式: C₁₄H₁₁NS₂
• 分子量: 257.38
• InChiKey: HYWQQOQCLQQOCO-UHFFFAOYSA-N

物化性质

• 熔点：
  41-43 °C
• 沸点：
  410.9±18.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  66.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-methyl-5-(phenylthio)benzo[d]thiazole 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以87%的产率得到C₁₄H₁₁NO₂S₂
  参考文献：
  名称：

  ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON VASCULAR ENDOTHELIAL LIPASE

  摘要：

  公开号：

  EP2351744B1
• 作为产物：
  描述：

  5-溴-2-甲基苯并噻唑 、 sodium thiophenolate 在 tris-(dibenzylideneacetone)dipalladium(0) 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 反应 0.5h， 以87%的产率得到2-methyl-5-(phenylthio)benzo[d]thiazole
  参考文献：
  名称：

  ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON VASCULAR ENDOTHELIAL LIPASE

  摘要：

  公开号：

  EP2351744B1

文献信息

• ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE
  申请人：Masuda Koji

  公开号：US20110251386A1

  公开（公告）日：2011-10-13

  Disclosed is a compound which is useful as an endothelial lipase inhibitor. A pharmaceutical composition having inhibitory activity on endothelial lipase comprising a compound represented by the formula: its pharmaceutically acceptable salt, or a solvate thereof, wherein Ring A is nitrogen-containing hetero ring, Ring A may be substituted with a substituent other than a group represented by the formula: —C(R 1 R 2 )—C(═O)—NR 3 R 4 and a group represented by the formula: —R 5 , a broken line represents the presence or the absence of a bond, Z is —NR 6 —, ═N—, —O—, or —S—, R 6 is halogen, substituted or unsubstituted alkyl or the like, R 1 and R 2 are each independently hydrogen, halogen, hydroxy, cyano, nitro, carboxy or substituted or unsubstituted alkyl, R 3 is hydrogen or substituted or unsubstituted alkyl, R 4 is hydrogen, substituted or unsubstituted alkyl or the like, R 3 and R 4 taken together with the adjacent nitrogen atom to which they are attached may form a substituted or unsubstituted ring, R 5 is hydrogen, halogen, hydroxy, cyano, nitro, carboxy, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted alkynyl or the like.

  公开了一种作为内皮酯酶抑制剂有用的化合物。一种具有内皮酯酶抑制活性的药物组合物，包括下式所示的化合物：其药学上可接受的盐或其溶剂合物，其中，环A是含氮杂环，环A可以被除了由下式表示的基团：—C(R1R2)—C(═O)—NR3R4和由下式表示的基团：—R5以外的基团取代，其中，一条虚线表示键的存在或不存在，Z为—NR6—，═N—，—O—或—S—，R6为卤素，取代或未取代的烷基或类似物，R1和R2各自独立地为氢、卤素、羟基、氰基、硝基、羧基或取代或未取代的烷基，R3为氢或取代或未取代的烷基，R4为氢、取代或未取代的烷基或类似物，R3和R4与它们所连接的相邻氮原子一起可以形成取代或未取代的环，R5为氢、卤素、羟基、氰基、硝基、羧基、取代或未取代的烷基、取代或未取代的烯基、取代或未取代的炔基或类似物。
• Selective Cell Death by Photochemically Induced pH Imbalance in Cancer Cells
  作者：Xiling Yue、Ciceron O. Yanez、Sheng Yao、Kevin D. Belfield

  DOI：10.1021/ja3122312

  日期：2013.2.13

  Singlet oxygen sensitized photodynamic therapy (PDT) relies on the concentration of oxygen in the tissue to be treated. Most cancer lesions, however, have poor vasculature and, as a result, are hypoxic, significantly hindering PDT efficacies. An oxygen-independent PDT method may circumvent this limitation. To address this, we prepared sulfonium salts that produced a pH drop within HCT 116 cells via the generation of a photoacid within the cytosol. This process was driven by one- or two-photon absorption (1PA or 2PA) of the endocytosed photoacid generators (PAGs). One of these PAGs, which had a significantly lower dark cytotoxicity and was more efficient in generating a photoacid, effectively induced necrotic cell death in the HCT 116 cells. The data suggest that PAGs may be an attractive alternative PDT modality to selectively induce cell death in oxygen-deprived tissue such as tumors.
• US8957219B2
  申请人：——

  公开号：US8957219B2

  公开（公告）日：2015-02-17