计算溶液所需的质量、体积或浓度。
活性类型 | 活性值-log(M) | 作用机制 | 期刊 | 参考文献(PubMed IDs) |
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货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
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E426125-1ml |
1ml |
现货 ![]() |
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别名 | 依帕司他 | 益帕瑞司特 |
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英文别名 | epalrestat | 82159-09-9 | Kinedak | Epalrestatum | Epalrestat [INN] | Ono 2235 | Ono-2235 | 2-((z)-5-((e)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid | Aldonil | Aldorin | Tanglin | 2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanyli |
规格或纯度 | Moligand™, 2mM in DMSO |
英文名称 | Epalrestat |
生化机理 | 强大的醛糖还原酶抑制剂(IC 50 = 72 nM)。通过转录调控增加雪旺细胞中细胞内谷胱甘肽的水平。在体内显示出抗糖尿病和神经保护作用。口服具有活性 |
储存温度 | -80℃储存 |
运输条件 | 超低温冰袋运输 |
作用类型 | 抑制剂 |
作用机制 | 醛糖还原酶抑制剂 |
ALogP | 3.8 |
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作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
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分子类型 | 小分子 |
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IUPAC Name | 2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid |
INCHI | InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8- |
InChi Key | CHNUOJQWGUIOLD-NFZZJPOKSA-N |
Canonical SMILES | CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O |
Isomeric SMILES | C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)O |
WGK Germany | 3 |
分子量 | 319.4 |
Reaxy-Rn | 15484334 |
Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15484334&ln= |
熔点 | 224 °C |
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分子量 | 319.400 g/mol |
XLogP3 | 3.800 |
氢键供体数Hydrogen Bond Donor Count | 1 |
氢键受体数Hydrogen Bond Acceptor Count | 5 |
可旋转键计数Rotatable Bond Count | 4 |
精确质量Exact Mass | 319.034 Da |
单同位素质量Monoisotopic Mass | 319.034 Da |
拓扑极表面积Topological Polar Surface Area | 115.000 Ų |
重原子数Heavy Atom Count | 21 |
形式电荷Formal Charge | 0 |
复杂度Complexity | 519.000 |
同位素原子数Isotope Atom Count | 0 |
定义的原子立体中心计数Defined Atom Stereocenter Count | 0 |
未定义的原子立体中心计数Undefined Atom Stereocenter Count | 0 |
定义的键立体中心计数Defined Bond Stereocenter Count | 2 |
未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
所有立体化学键的总数The total count of all stereochemical bonds | 2 |
共价键合单元计数Covalently-Bonded Unit Count | 1 |
象形图 | GHS06, GHS07 |
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信号词 | Danger |
危险声明 |
H315: 引起皮肤刺激 H319: 引起严重眼睛刺激 H335: 可能引起呼吸道刺激 H300: 吞咽致命 |
预防措施声明 |
P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾 P305+P351+P338: 如进入眼睛:用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出,取出隐形眼镜。继续冲洗。 P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P302+P352: 如皮肤沾染:用水充分清洗。 P321: 特殊处理(请参阅此标签上的...)。 P405: 密闭存放 P501: 将内容物/容器处理到。。。 P264: 处理后要彻底洗手。 P271: 仅在室外或通风良好的地方使用。 P270: 使用本产品时,请勿进食、饮水或吸烟。 P304+P340: 如误吸入:将人转移到空气新鲜处,保持呼吸舒适体位。 P403+P233: 存放在通风良好的地方。保持容器密闭。 P362+P364: 脱掉沾污的衣服,清洗后方可重新使用。 P330: 漱口 P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。 P301+P316: 如果吞咽:立即寻求紧急医疗救助。 P337+P317: 如果眼睛刺激持续:寻求医疗帮助。 P332+P317: 如果出现皮肤刺激:请寻求医疗帮助。 P319: 如果你感到不适,请寻求医疗帮助。 |
WGK Germany | 3 |
Reaxy-Rn | 15484334 |
Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15484334&ln= |
Merck Index | 3605 |
Concentration(Compounding value) | 1-3(mmol/L) |
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Record the entire process by video | Conform |