5-(3-溴-苯基)-2,4-二氢-[1,2,4]噻唑-3-硫酮

• 常用名: 5-(3-溴-苯基)-2,4-二氢-[1,2,4]噻唑-3-硫酮
• 英文名: 5-(3-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
• CAS号: 126651-85-2
• 分子量: 256.12200
• 密度: 1.83g/cm3
• 沸点: 326.6ºC at 760 mmHg
• 分子式: C₈H₆BrN₃S
• 熔点: N/A
• 闪点: 151.3ºC

用途

Tyrosinase-IN-16 (compound 19a) 是酪氨酸激酶 (Tyrosinase) 抑制剂,Ki=470 nM。Tyrosinase-IN-16 对 B16F10 细胞具有杀伤毒性,在 20 μM 浓度下的抑制率 >90%。

名称

• 中文名: 5-(3-溴-苯基)-2,4-二氢-[1,2,4]噻唑-3-硫酮
• 英文名: 5-(3-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione

生物活性

• 描述: Tyrosinase-IN-16 (compound 19a) 是酪氨酸激酶 (Tyrosinase) 抑制剂,Ki=470 nM。Tyrosinase-IN-16 对 B16F10 细胞具有杀伤毒性,在 20 μM 浓度下的抑制率 >90%。
• 相关类别:
  研究领域 >> 癌症
  信号通路 >> 代谢酶/蛋白酶 >> 酪氨酸酶
• 参考文献:

  [1]. Choi J, et al. Ensemble-Based Virtual Screening Led to the Discovery of New Classes of Potent Tyrosinase Inhibitors. J Chem Inf Model. 2016 Feb 22;56(2):354-67.

物理化学性质

• 密度: 1.83g/cm3
• 沸点: 326.6ºC at 760 mmHg
• 分子式: C₈H₆BrN₃S
• 分子量: 256.12200
• 闪点: 151.3ºC
• 精确质量: 254.94700
• PSA: 76.56000
• LogP: 2.89680
• InChIKey: ALETZOQAGIEADS-UHFFFAOYSA-N
• SMILES: S=c1nc(-c2cccc(Br)c2)[nH][nH]1
• 蒸汽压: 0.000214mmHg at 25°C
• 折射率: 1.775

安全信息

• 海关编码: 2933990090

海关

• 海关编码: 2933990090
• 中文概述: 2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
• 申报要素: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
• Summary: 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

靶点实验

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