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66-76-2

中文名称 双羟香豆素
英文名称 DICUMAROL
CAS 66-76-2
分子式 C19H12O6
分子量 336.29
MOL 文件 66-76-2.mol
更新日期 2024/04/26 17:06:47
66-76-2 结构式 66-76-2 结构式

基本信息

中文别名
敌害鼠
双杀鼠灵
双羟香豆素
双香豆素
3,3ˊ-亚甲基双(4-羟基香豆素)
败坏翘摇素
丁香素
双(羟)香豆素
双苯并哌弄
甜金花素
敌鼠灵
双香豆素/败坏翘摇素
3,3'-亚甲基双(4-羟基馥素)
英文别名
3,3'-METHYLENEBIS(4-HYDROXYCOUMARIN)
4-HYDROXY-3-[(4-HYDROXY-2-OXO-CHROMEN-3-YL)METHYL]CHROMEN-2-ONE
BISCUMAROL
BIS-HYDROXYCOUMARIN
DICOUMARIN
DICOUMAROL
DICUMAROL
2H-1-Benzopyran-2-one, 3,3'-methylenebis[4-hydroxy-
3,3’-methyleen-bis(4-hydroxy-cumarine)
3,3’-methylen-bis(4-hydroxy-cumarin)
3,3’-methylenebis(4-hydroxy-1,2-benzopyrone)
3,3’-methylenebis(4-hydroxy-2h-1-benzopyran-2-on
3,3’-methylenebis(4-hydroxy-2h-1-benzopyran-2-one)
3,3’-methylenebis(4-hydroxy-coumari
3,3’-methylene-bis(4-hydroxycoumarine)
3,3’-methylene-bis(4-hydroxycoumarine)(french)
3,3’-methylenebis[4-hydroxy-2h-1-benzopyran-2-on
3,3’-metilen-bis(4-idrossi-cumarina)
3,3'-Methyleen-bis(4-hydroxy-cumarine)
3,3'-Methylen-bis(4-hydroxy-cumarin)
所属类别
原料药:抗凝血药及抗血小板药

物理化学性质

外观性质白色或浅黄色粉末,味苦带臭味。
溶解性溶于碱、吡啶,微溶于氯仿、苯,不溶于水、醇、醚。
熔点290-292 °C(lit.)
沸点392.79°C (rough estimate)
密度1.2864 (rough estimate)
折射率1.4450 (estimate)
储存条件+2C to +8C
溶解度DMSO:3.06(Max Conc. mg/mL);9.1(Max Conc. mM)
DMSO:PBS (pH 7.2) (1:1):0.5(Max Conc. mg/mL);1.49(Max Conc. mM)
DMF:1.25(Max Conc. mg/mL);3.72(Max Conc. mM)
Water:50.0(Max Conc. mg/mL);148.68(Max Conc. mM)
酸度系数(pKa)4.20±1.00(Predicted)
形态精细结晶粉末
颜色白色
水溶解性Soluble in aqueous alkaline solutions, organic bases, 0.1 N NaOH (15 mg/ml), Pyridine (50 mg/ml), chloroform (slightly soluble), and benzene (slightly soluble). Insoluble in water, and alcohols.
Merck3090

安全数据

危险性符号(GHS)
GHS06,GHS08,GHS09
警示词危险
危险性描述H301-H372-H411
危险品标志T,N
危险类别码22-48/25-51/53
安全说明37-45-61
危险品运输编号UN 2811 6.1/PG 3
WGK Germany3
RTECS号GN7875000
TSCAYes
危险等级6.1(b)
包装类别III
海关编码29322985
毒性LD50 orally in rats: 541.6 mg/kg (Rose)
双羟香豆素价格(试剂级)
报价日期产品编号产品名称CAS号包装价格
2024/01/25HY-N0645双羟香豆素
Dicoumarol
66-76-2500 mg500元
2024/01/16S4299双羟香豆素
Dicoumarol
66-76-250mg573.3元
2024/01/16S4299双羟香豆素
Dicoumarol
66-76-2200mg892.71元

常见问题列表

生物活性
Dicoumarol是一种竞争性的NADPH quinone oxidoreductase (NQO1)抑制剂,可通过干扰维生素K的代谢用作抗凝血剂。
靶点
TargetValue
NQO1
体外研究

Dicoumarol is an inhibitor of both NAD(P)H:quinone oxidoreductase 1 (NQO1) and PDK1 with IC 50 s of 0.37±0.15 and 19.42±0.032 μM, respectively. The PDK1 activity is inhibited by Dicoumarol in a dose-dependent manner. The enzymatic activity of PDK1 is reduced by approximately 94% when treated with 200 μM Dicoumarol. Dicoumarol decreases the p-PDHA1 level by 26% (100 μM Dicoumarol) and by 72% (200 μM Dicoumarol), with no statistical difference in the total PDHA1 level. Both 100 μM and 200 μM Dicoumarol markedly induce apoptosis of SKOV3 cells. Similarly, flow cytometric analysis of annexin V + PI + cells reveals that 100 μM and 200 μM Dicoumarol treatments generate approximately 20.87% and 24.94% apoptotic cells, respectively, significantly higher than vehicle treatment. It is also observed that treatment of MCF-7-TAMR cells with Dicoumarol, a known NQO1 inhibitor, reverses their tamoxifen-resistance phenotype.

体内研究

Dichloroacetate (DCA) at 100 mg/kg, Dicoumarol at 30 mg/kg, and Dicoumarol at 50 mg/kg all significantly reduce tumor volume and decrease tumor weight, when compare to tumors from control or vehicle groups. Total caspase-3 and total anti-poly (ADP-ribose) polymerase (PARP) are significantly decreased in Dicoumarol-treated SKOV3 xenografts, when compare to tumors from the control or vehicle group.

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