S-(1-Oxo-1lambda~5~-pyridin-2-yl) pyrrolidine-1-carbothioate | 88577-12-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: S-(1-Oxo-1lambda~5~-pyridin-2-yl) pyrrolidine-1-carbothioate
• 英文别名: S-(1-oxidopyridin-1-ium-2-yl) pyrrolidine-1-carbothioate
• CAS: 88577-12-2
• 化学式: C10H12N2O2S
• 分子量: 224.28
• InChiKey: SHUJIQSWQGTPST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• PYRIDIN-2YL SULFANYL ACID ESTERS AND PROCESS FOR THE PREPARATION THEREOF
  申请人：Sarma Jadab Chandra

  公开号：US20130131350A1

  公开（公告）日：2013-05-23

  The present invention relates to Pyridin-2-yl sulfanyl acid ester compounds having antiinflammatory properties. The present invention particularly relates to novel anti-inflammatory heterocyclic acid esters of Pyridin-2-yl sulfanyl having the structure of general formula 1 which have been screened for their antiinflammatory activity with respect to inhibition of adhesion of neutrophils, isolated from human peripheral blood, onto the surface of human umbilical vein endothelial cells (HU-VEC) as a result of inhibition of the cytokine-stimulated expression of cell adhesion molecule ICAM-1. The compound RS—Z, 3-(Pyridin-2-yl sulfanyl)-propionic acid pentyl ester (structure 1a, R 1 =H, R 2 =H, R 3 =CH2-COOC5H 11 ) was found to be most effective for ICAM-1 and neutrophil adhesion inhibition and was found to effectively alleviate inflammation mediated by excessive leukocyte infiltration leading to inflammatory disorders or like conditions, such as acute lung injury and acute respiratory distress syndrome in mice.

  本发明涉及具有抗炎性能的吡啶-2-基硫醇酸酯化合物。本发明特别涉及吡啶-2-基硫醇的新型抗炎杂环酸酯，其具有通式1的结构，已经针对其抗炎活性进行了筛选，以抑制从人类外周血液中分离出的中性粒细胞粘附到人脐静脉内皮细胞（HU-VEC）表面，结果是通过抑制细胞粘附分子ICAM-1的细胞因子刺激表达来实现。化合物RS—Z，3-(吡啶-2-基硫醇)-丙酸戊酯（结构1a，R1=H，R2=H，R3=CH2-COOC5H11）被发现对ICAM-1和中性粒细胞粘附抑制效果最显著，并且被发现有效缓解由过度白细胞浸润引起的炎症，导致炎症性疾病或类似症状，如小鼠的急性肺损伤和急性呼吸窘迫综合征。
• US8680288B2
  申请人：——

  公开号：US8680288B2

  公开（公告）日：2014-03-25