雙羥香豆素
中文名稱 | 雙羥香豆素 |
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中文同義詞 | 甜金花素;敵鼠靈;雙香豆素/敗壞翹搖素;3,3'-亞甲基雙(4-羥基馥素);雙殺鼠靈;敵害鼠;雙香豆素(標(biāo)準(zhǔn)品);DICOUMAROL 雙香豆素 |
英文名稱 | DICUMAROL |
英文同義詞 | BIS-HYDROXYCOUMARIN;BISCUMAROL;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 |
CAS號(hào) | 66-76-2 |
分子式 | C19H12O6 |
分子量 | 336.3 |
EINECS號(hào) | 200-632-9 |
相關(guān)類別 | 標(biāo)準(zhǔn)品;植物提取物;小分子抑制劑;對(duì)照品;中藥對(duì)照品;DICUMOL;植提標(biāo)準(zhǔn)品;吡喃;細(xì)胞生物學(xué)試劑;標(biāo)準(zhǔn)品 -中藥標(biāo)準(zhǔn)品;標(biāo)準(zhǔn)品,對(duì)照品 |
Mol文件 | 66-76-2.mol |
結(jié)構(gòu)式 |
雙羥香豆素 性質(zhì)
熔點(diǎn) | 290-292 °C(lit.) |
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沸點(diǎn) | 392.79°C (rough estimate) |
密度 | 1.2864 (rough estimate) |
折射率 | 1.4450 (estimate) |
儲(chǔ)存條件 | Sealed in dry,Room Temperature |
溶解度 | DMSO:3.06(最大濃度 mg/mL);9.1(最大濃度 mM) DMSO:PBS (pH 7.2) (1:1):0.5(最大濃度 mg/mL);1.49(最大濃度. mM) DMF:1.25(最大濃度 mg/mL);3.72(最大濃度 mM) 水:50.0(最大濃度 mg/mL);148.68(最大濃度 mM) |
酸度系數(shù)(pKa) | 4.20±1.00(Predicted) |
形態(tài) | 精細(xì)結(jié)晶粉末 |
顏色 | 白色 |
生物來(lái)源 | synthetic (organic) |
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. |
Merck | 14,3090 |
EPA化學(xué)物質(zhì)信息 | 2H-1-Benzopyran-2-one, 3,3'-methylenebis[4-hydroxy- (66-76-2) |
Target | Value |
NQO1 |
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.
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.
安全信息
危險(xiǎn)品標(biāo)志 | T,N |
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危險(xiǎn)類別碼 | 22-48/25-51/53 |
安全說(shuō)明 | 37-45-61 |
危險(xiǎn)品運(yùn)輸編號(hào) | UN 2811 6.1/PG 3 |
WGK Germany | 3 |
RTECS號(hào) | GN7875000 |
TSCA | Yes |
危險(xiǎn)等級(jí) | 6.1(b) |
包裝類別 | III |
海關(guān)編碼 | 29322985 |
毒害物質(zhì)數(shù)據(jù) | 66-76-2(Hazardous Substances Data) |
毒性 | LD50 orally in rats: 541.6 mg/kg (Rose) |
提供商 | 語(yǔ)言 |
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