4-[3-(三氟甲基)苄基]-2H-14-苯并噻嗪-3(4h)-酮 | 353262-04-1

• 物质功能分类: 生物化工 - 生化试剂 - 激动剂抑制剂
• 分子结构分类: 有机化合物 - 有机杂环化合物
• 中文名称: 4-[3-(三氟甲基)苄基]-2H-14-苯并噻嗪-3(4h)-酮
• 中文别名: 4-[[3-(三氟甲基)苯基]甲基]-2H-1,4-苯并噻嗪-3(4H)-酮；NS6180抑制剂；4-[[[3-(三氟甲基)苯基]甲基]-2H-1,4-苯并噻嗪-3(4H)-one；NS 6180
• 英文名称: 4-(3-(trifluoromethyl)benzyl)-2H-benzo[b][1,4]thiazin-3(4H)-one
• 英文别名: 4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-benzothiazin-3-one
• CAS: 353262-04-1
• 化学式: C₁₆H₁₂F₃NOS
• 分子量: 323.3
• InChiKey: ZUIJXKLTUFCDGO-UHFFFAOYSA-N

物化性质

• 沸点：
  476.9±45.0 °C(Predicted)
• 密度：
  1.375±0.06 g/cm3(Predicted)
• 溶解度：
  在DMSO中的溶解度为20mg/mL，澄清

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  45.6
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险类别：
  9
• 危险性防范说明：
  P501,P273,P260,P270,P264,P280,P391,P314,P337+P313,P305+P351+P338,P301+P312+P330
• 危险品运输编号：
  3077
• 危险性描述：
  H302,H319,H372,H410
• 包装等级：
  III

制备方法与用途

概述

NS6180是KCa3.1离子通道高效选择性抑制剂，IC50值9nM，阻止T细胞活化和炎症反应。

高效选择性抑制剂

NS6180 is a novel potent and selective KCa3.1 channel inhibitor(IC50= 9 nM) prevents T-cell activation and inflammation. IC50 value: 9 nM [1] Target: KCa3.1 channel inhibitor in vitro: NS6180 inhibited cloned human KCa3.1 channels (IC50 = 9 nM) via T250 and V275, the same amino acid residues conferring sensitivity to triarylmethanes such as like TRAM-34. NS6180 inhibited endogenously expressed KCa3.1 channels in human, mouse and rat erythrocytes, with similar potencies (15–20 nM). NS6180 suppressed rat and mouse splenocyte proliferation at submicrolar concentrations and potently inhibited IL-2 and IFN-γ production, while exerting smaller effects on IL-4 and TNF-α and no effect on IL-17 production [1]. in vivo: DNBS challenged rats were treated with two doses (3 and 10 mg·kg-1 b.i.d.) of NS6180 for 7 days in direct comparison with the IBD drug sulfasalazine (300 mg·kg-1 q.d.). Both doses of NS6180 significantly improved weight gain and decreased inflammation induced swelling of the colon as determined by relative colon weight.

生物活性

NS6180是KCa3.1离子通道高效选择性抑制剂，IC50值9nM，阻止T细胞活化和炎症反应。