methyl 4-(1-benzothiophene-2-amido)benzoate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: methyl 4-(1-benzothiophene-2-amido)benzoate
• 英文别名: Methyl 4-(1-benzothiophene-2-carbonylamino)benzoate
• 化学式: C₁₇H₁₃NO₃S
• 分子量: 311.361
• InChiKey: KFPKTWFPZSNWEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  83.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  苯并噻吩-2-羧酸 、 4-氨基苯甲酸甲酯 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以40%的产率得到methyl 4-(1-benzothiophene-2-amido)benzoate
  参考文献：
  名称：

  Discovery of Potent Inhibitors of Streptococcus mutans Biofilm with Antivirulence Activity

  摘要：

  DOI：

  10.1021/acsmedchemlett.0c00373

文献信息

• [EN] STREPTOCOCCUS MUTANS GLUCOSYL TRANSFERASE INHIBITORS FOR DENTAL CARIES THERAPY<br/>[FR] INHIBITEURS DE GLUCOSYLE TRANSFÉRASE DE STREPTOCOCCUS MUTANS POUR LA THÉRAPIE DES CARIES DENTAIRES
  申请人：UAB RESEARCH FOUNDATION

  公开号：WO2019195430A1

  公开（公告）日：2019-10-10

  The present invention is related to the inhibition of the formation of Streptococci biofilms through the inhibition of glucosyl transferase (Gtf). Compounds, compositions and methods for inhibiting Streptococcus biofilm formation, as well as for preventing, inhibiting and/or treating the formation of dental caries, and methods of identifying compounds that prevent, inhibit and/or treat the formation of dental caries are provided.

  本发明涉及通过抑制葡萄糖基转移酶(Gtf)来抑制链球菌生物膜形成的方法。提供了用于抑制链球菌生物膜形成的化合物、组合物和方法，以及用于预防、抑制和/或治疗龋齿形成的方法，以及用于识别能够预防、抑制和/或治疗龋齿形成的化合物的方法。
• STREPTOCOCCUS MUTANS GLUCOSYL TRANSFERASE INHIBITORS FOR DENTAL CARIES THERAPY
  申请人：UAB Research Foundation

  公开号：US20210115007A1

  公开（公告）日：2021-04-22

  The present invention is related to the inhibition of the formation of Streptococci biofilms through the inhibition of glucosyl transferase (Gtf). Compounds, compositions and methods for inhibiting Streptococcus biofilm formation, as well as for preventing, inhibiting and/or treating the formation of dental caries, and methods of identifying compounds that prevent, inhibit and/or treat the formation of dental caries are provided.
• BIOACTIVE POLYMERS WITH ANTI=FOULING PROPERTIES FOR MEDICAL AND DENTAL USES
  申请人：OREGON HEALTH & SCIENCE UNIVERSITY

  公开号：US20210284622A1

  公开（公告）日：2021-09-16

  The present invention provides polymers capable of inhibiting the growth of biofilms, including biofilms of Streptococcus mutans . The invention also provides monomers for use in the preparation of such polymers.
• Discovery of Potent Inhibitors of <i>Streptococcus mutans</i> Biofilm with Antivirulence Activity
  作者：Bhavitavya Nijampatnam、Parmanand Ahirwar、Piyasuda Pukkanasut、Holly Womack、Luke Casals、Hua Zhang、Xia Cai、Suzanne M. Michalek、Hui Wu、Sadanandan E. Velu

  DOI：10.1021/acsmedchemlett.0c00373

  日期：2021.1.14