4-Isobutyloxy-thiophenol | 1129-77-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚类
• 英文名称: 4-Isobutyloxy-thiophenol
• 英文别名: 4-(2-Methylpropoxy)benzenethiol
• CAS: 1129-77-7
• 化学式: C₁₀H₁₄OS
• 分子量: 182.287
• InChiKey: XJHAXOAGVURQJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  10.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-Isobutyloxy-thiophenol 、 2-amino-6-chloro-9-[2-(phosphonomethoxy)ethyl]purine bis(2,2,2-trifluoroethyl) ester 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以69%的产率得到{2-[2-Amino-6-(4-isobutoxy-phenylsulfanyl)-purin-9-yl]-ethoxymethyl}-phosphonic acid bis-(2,2,2-trifluoro-ethyl) ester
  参考文献：
  名称：

  2-Amino-6-arylthio-9-[2-(phosphonomethoxy)ethyl]purine Bis(2,2,2-trifluoroethyl) Esters as Novel HBV-Specific Antiviral Reagents

  摘要：

  Novel 2-amino-6-arylthio-9-[2-(phosphonomethoxy)ethyl] purine bis(2,2,2-trifluoroethyl) esters were synthesized and evaluated for antihepatitis B virus (HBV) activity in vitro using HB611, HuH-6 cell line, stably transfected with the HBV genome. Among the compounds synthesized, 2-amino-6-phenylthio-9-[2-(phosphonomethoxy)ethyl]purine bis(2,2,2-trifluoroethyl) ester (8), 2-amino-6-(4-methoxyphenylthio)-9-[2-(phosphonomethoxy)ethyl] purine bis(2,2,2-trifluoroethyl) ester (16), 2-amino-6-(3-methoxyphenylthio)-9-[2-(phosphonomethoxy)ethyl]purine bis(2,2,2-trifluoroethyl) ester (17), and 2-amino-6-(2-methoxyphenylthio)-9-[2-(phosphonomethoxy)ethyl]purine bis(2,2,2-trifluoroethyl) ester (18) showed considerably high anti-HBV activity, as represented by IC50 values of 0.05, 0.03, 0.04, and 0.08 muM, respectively, and exhibited low cytotoxicity, as represented by CC50 values of more than 1000 muM. It was suggested that these compounds did not have anti-HIV activity, and compound 8 showed only weak anti-HSV-1 activity. An antiviral agent, 9-[2-(phosphonomethoxy)ethyl]adenine (PMEA), which was used as a control in the present study, showed moderate anti-HBV activity, as represented by an IC50 value of 0.2 muM. Furthermore, compound 16 was administered orally to mice at a dose of 100 mg/kg in order to examine its gastrointestinal absorbability. Consequently, the main active metabolite was observed in mouse plasma, with especially high concentrations in the liver.

  DOI：

  10.1021/jm020036x
• 作为产物：
  描述：

  (isobutyloxy)benzene 生成 4-Isobutyloxy-thiophenol
  参考文献：
  名称：

  Protiva,M. et al., Collection of Czechoslovak Chemical Communications, 1964, vol. 29, p. 2161 - 2181

  摘要：

  DOI：

文献信息

• Phthalocyanine compound, its intermediate, process for producing the compound, and use thereof
  申请人：Yamamoto Chemicals, Inc.

  公开号：EP0928816A2

  公开（公告）日：1999-07-14

  The invention relates to a novel phthalocyanine compound absorbing in the near infrared region of the spectrum with a high absorption coefficient which features high solubility in solvents, good compatibility with resins and high aging resistance, thus finding application as a near infrared ray absorbing material or a light-heat conversion material with great advantage and to a process for producing the phthalocyanine compound. The novel phthalocyanine compound has the following general formula: wherein R represents alkyl or alkoxyalkyl; X represents halogen, alkylthio, phenylthio which may be substituted, or naphthylthio which may be substituted; M represents a couple of hydrogen atoms, a divalent metal, or a trivalent or tetravalent metal derivative. The near infrared ray absorbing and light-heat conversion materials containing the above phthalocyanine compound are also described.

  本发明涉及一种新型酞菁化合物，它在光谱的近红外区域具有高吸收系数，在溶剂中的溶解度高，与树脂的相容性好，耐老化性强，因此在作为近红外射线吸收材料或光热转换材料方面具有很大的应用优势，本发明还涉及一种生产该酞菁化合物的工艺。 新型酞菁化合物具有以下通式： 其中 R 代表烷基或烷氧基烷基；X 代表卤素、烷硫基、可被取代的苯硫基或可被取代的萘硫基；M 代表几个氢原子、二价金属或三价或四价金属衍生物。 此外，还介绍了含有上述酞菁化合物的近红外线吸收材料和光热转换材料。
• Modulators of cystic fibrosis transmembrane conductance regulator
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US10758534B2

  公开（公告）日：2020-09-01

  The present invention features a compound of formula I: or a pharmaceutically acceptable salt thereof, where R1, R2, R3, W, X, Y, Z, n, o, p, and q are defined herein, for the treatment of CFTR mediated diseases, such as cystic fibrosis. The present invention also features pharmaceutical compositions, method of treating, and kits thereof.

  本发明的特征是一种式 I 的化合物： 或其药学上可接受的盐，其中 R1、R2、R3、W、X、Y、Z、n、o、p 和 q 在此定义，用于治疗 CFTR 介导的疾病，如囊性纤维化。本发明还包括药物组合物、治疗方法及其试剂盒。
• OERIU, Pharmazie, 1961, vol. 16, p. 320 - 327
  作者：OERIU

  DOI：——

  日期：——
• MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20190269683A1

  公开（公告）日：2019-09-05

  The present invention features a compound of formula I: or a pharmaceutically acceptable salt thereof, where R 1 , R 2 , R 3 , W, X, Y, Z, n, o, p, and q are defined herein, for the treatment of CFTR mediated diseases, such as cystic fibrosis. The present invention also features pharmaceutical compositions, method of treating, and kits thereof.
• US5973140A
  申请人：——

  公开号：US5973140A

  公开（公告）日：1999-10-26