2-((3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl)thio)-N-(p-tolyl)acetamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-((3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl)thio)-N-(p-tolyl)acetamide
• 英文别名: 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(4-methylphenyl)acetamide
• 化学式: C₁₈H₁₇N₃O₂S₂
• 分子量: 371.5
• InChiKey: JRZYMTWHGQFERF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  118
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• [EN] INHIBITION OF MYCOBACTERIAL TYPE VII SECRETION<br/>[FR] INHIBITION DE LA SÉCRÉTION MYCOBACTÉRIENNE DE TYPE VII
  申请人：STICHTING VUMC

  公开号：WO2021040519A1

  公开（公告）日：2021-03-04

  The invention relates to compounds and pharmaceutically acceptable salts thereof, and to their medical use. Exemplary medical uses are the prevention and treatment of a bacterial infection, for example, a mycobacterial infection, such as a Mycobacterium tuberculosis infection, e.g., in a respiratory system and/or extrapulmonic. The invention further relates to a use of such compounds, pharmaceutically acceptable salts thereof or prodrugs of the compounds as chemotherapeutic agents. Also, the invention relates to a use of such compounds, pharmaceutically acceptable salts thereof or prodrugs of the compounds for inhibiting mycobacterial type VII secretion. The compounds have the following formula (Ia), wherein Q and X are, respectively, CH and C, CR2 and C, CH and N, CR2 and N, or N and C; R1 is hydrogen, halide or optionally substituted linear or branched alkoxy having 1 or 2 carbon atoms; R2 is independently selected from hydrogen, halide or optionally substituted linear or branched alkoxy having 1 or 2 carbon atoms, and R3 is optionally substituted linear or branched alkoxy having 1-6 carbon atoms, haloalkyl having 1-6 carbon atoms, n-propyl, 2-propenyl, 2-propynyl, or n-pentyl, or a pharmaceutically acceptable salt of the compound, for use in the prevention or treatment of a bacterial infection.

  该发明涉及化合物及其药用盐，以及它们的医学用途。示例医学用途包括预防和治疗细菌感染，例如分枝杆菌感染，如结核分枝杆菌感染，例如在呼吸系统和/或肺外。该发明还涉及将这些化合物、其药用盐或这些化合物的前体用作化疗药物。此外，该发明涉及将这些化合物、其药用盐或这些化合物的前体用于抑制分枝杆菌的第七型分泌。这些化合物具有以下结构式（Ia），其中Q和X分别是CH和C，CR2和C，CH和N，CR2和N，或N和C；R1是氢、卤素或具有1或2个碳原子的可选择取代的线性或支链烷氧基；R2独立选择自氢、卤素或具有1或2个碳原子的可选择取代的线性或支链烷氧基，R3是可选择取代的具有1-6个碳原子的线性或支链烷氧基、具有1-6个碳原子的卤代烷基、正丙基、2-丙烯基、2-丙炔基或正戊基，或该化合物的药用盐，用于预防或治疗细菌感染。
• US20140275224A1
  申请人：——

  公开号：US20140275224A1

  公开（公告）日：2014-09-18
• [EN] CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION<br/>[FR] MODULATEURS DE LA CYTOSINE DÉSAMINASE POUR L'AMÉLIORATION DE LA TRANSFECTION D'ADN
  申请人：UNIV MINNESOTA

  公开号：WO2013074059A2

  公开（公告）日：2013-05-23

  Compounds and methods are provided for enhancing or boosting the transfection rate or efficiency of mammalian cells by foreign DNA, such as bacterial plasmid DNA. Compounds, including natural products and inventive synthetic compounds can increase the effectiveness of uptake and incorporation of foreign DNA by mammalian cells, such as human cells, by suppression of DNA cytosine deamination, which is believed to be a mechanism by which these cells eliminate foreign DNA. Inhibition of the cytosine deaminase enzymes by compounds as described herein serves to provide more effective transfection of eukaryotic cells by plasmids including engineered gene sequences. Transfection can be used to study cellular processes, or to cure genetic diseases in human patients. The inventive materials and methods increase the efficiency and effectiveness of such transfection techniques.