N-Benzyl-4-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: N-Benzyl-4-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
• 英文别名: N-benzyl-4-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
• 化学式: C₂₃H₁₈ClFN₂O₂S
• mdl: MFCD04062841
• 分子量: 440.9
• InChiKey: VJXUTYSJHGFAKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  74.7
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• STING AGONISTS AND METHODS OF SELECTING STING AGONISTS
  申请人：DeFilippis Victor

  公开号：US20170146519A1

  公开（公告）日：2017-05-25

  Disclosed are small molecules capable of activating the type I interferon (IFN) response by way of the transcription factor IFN regulatory factor 3 (IRF3) were identified. A high throughput in vitro screen yielded 4-(2-chloro-6-fluorobenzyl)-N-(furan-2-ylmethyl)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxamide (referred to herein as G10), which was found to trigger IRF3/IFN-associated transcription in human fibroblasts. To define cellular proteins essential to elicitation of the antiviral activity by the compound a reverse genetics approach that utilized genome editing via CRISPR/Cas9 technology was employed. This allowed the identification of IRF3, the IRF3-activating adaptor molecule STING, and the IFN-associated transcription factor STAT1 as required for observed gene induction and antiviral effects.
• SMALL MOLECULE MODULATORS OF HUMAN STING
  申请人：Curadev Pharma Limited

  公开号：US20200138827A1

  公开（公告）日：2020-05-07

  The present invention relates to compounds of formula (I). The compounds may be used to modulate the Stimulator of Interferon Genes (STING) protein and thereby treat diseases such as cancer and microbial infections.