ethyl 4-(4-hydroxy-3-methoxyphenyl)-2-mercapto-6-methyl-1,4-dihydropyrimidine-5-carboxylate

更新时间:2023-02-08 04:51:10

ethyl 4-(4-hydroxy-3-methoxyphenyl)-2-mercapto-6-methyl-1,4-dihydropyrimidine-5-carboxylate结构式
ethyl 4-(4-hydroxy-3-methoxyphenyl)-2-mercapto-6-methyl-1,4-dihydropyrimidine-5-carboxylate结构式
品牌特惠专场
常用名 ethyl 4-(4-hydroxy-3-methoxyphenyl)-2-mercapto-6-methyl-1,4-dihydropyrimidine-5-carboxylate 英文名 ethyl 4-(4-hydroxy-3-methoxyphenyl)-2-mercapto-6-methyl-1,4-dihydropyrimidine-5-carboxylate
CAS号 5948-75-4 分子量 322.38
密度 1.3±0.1 g/cm3 沸点 462.4±55.0 °C at 760 mmHg
分子式 C15H18N2O4S 熔点 N/A
MSDS N/A 闪点 233.5±31.5 °C

 用途

tip
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gp120-IN-1(化合物4e)是一种有效的HIV-1 gp120抑制剂,IC50为2.2µM,CC50为100.90µM。gp120-IN-1具有抗HIV-1活性。gp120-IN-1在SUP-T1细胞中显示出剂量依赖性的细胞毒性。gp120-IN-1显示了对gp120介导的病毒进入细胞的抑制作用【1】。

 名称

英文名 Ethyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanyl-1,4-dihydropyrimidine-5-carboxylate
英文别名 更多

 生物活性

描述 gp120-IN-1(化合物4e)是一种有效的HIV-1 gp120抑制剂,IC50为2.2µM,CC50为100.90µM。gp120-IN-1具有抗HIV-1活性。gp120-IN-1在SUP-T1细胞中显示出剂量依赖性的细胞毒性。gp120-IN-1显示了对gp120介导的病毒进入细胞的抑制作用【1】。
相关类别
靶点

HIV-1:2.2 μM (IC50)

HIV-1:100.90 μM (CC50)

参考文献

[1]. Senapathi J, et al. Design, Synthesis, and Antiviral activity of 1,2,3,4-Tetrahydropyrimidine derivatives acting as novel entry inhibitors to target at "Phe43 cavity" of HIV-1 gp120. Bioorg Med Chem. 2021 Dec 15;52:116526.

 物理化学性质

密度 1.3±0.1 g/cm3
沸点 462.4±55.0 °C at 760 mmHg
分子式 C15H18N2O4S
分子量 322.38
闪点 233.5±31.5 °C
精确质量 322.098724
LogP 1.88
蒸汽压 0.0±1.2 mmHg at 25°C
折射率 1.633

 英文别名

Ethyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-, ethyl ester
5-pyrimidinecarboxylic acid, 1,4-dihydro-4-(4-hydroxy-3-methoxyphenyl)-2-mercapto-6-methyl-, ethyl ester
5-pyrimidinecarboxylic acid, 1,6-dihydro-6-(4-hydroxy-3-methoxyphenyl)-2-mercapto-4-methyl-, ethyl ester
ethyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Ethyl 6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
MFCD02331148
Ethyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanyl-1,4-dihydropyrimidine-5-carboxylate