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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O426929-1ml |
1ml |
现货 ![]() |
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别名 | 4-溴-N-(2,3-二氢-6-甲氧基-1,3-二甲基-2-氧代-1H-苯并咪唑-5-基)-2-甲基苯磺酰胺 |
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英文别名 | OF-1 | 919973-83-4 | SGC OF-1 | OF 1 | 4-bromo-N-(6-methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)-2-methylbenzenesulfonamide | 4-Bromanyl-~{n}-(6-Methoxy-1,3-Dimethyl-2-Oxidanylidene-Benzimidazol-5-Yl)-2-Methyl-Benzenesulfonamide | CHEMBL3770173 | 4- |
规格或纯度 | Moligand™, 10mM in DMSO |
英文名称 | OF 1 |
生化机理 | 选择性BRPF1B和BRPF2溴结构域抑制剂(Kd值分别为100和500 nM)。对BRPF1B和BRPF2的选择性是BRD4的39倍。在BRPF2 FRAP分析中以5μM加速FRAP恢复。抑制RANKL诱导的原代小鼠骨髓细胞和人原代单核细胞分化为破骨细胞。 |
储存温度 | -80℃储存 |
运输条件 | 超低温冰袋运输 |
作用机制 | 溴结构域和含 PHD 手指 1;溴结构域和含 PHD 手指 3 |
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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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EC号 | 809-510-5 |
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分子类型 | 小分子 |
IUPAC Name | 4-bromo-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide |
INCHI | InChI=1S/C17H18BrN3O4S/c1-10-7-11(18)5-6-16(10)26(23,24)19-12-8-13-14(9-15(12)25-4)21(3)17(22)20(13)2/h5-9,19H,1-4H3 |
InChi Key | YUNQZQREIHWDQT-UHFFFAOYSA-N |
Canonical SMILES | CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C |
Isomeric SMILES | CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C |
关联CAS | 919973-83-4 |
分子量 | 440.31 |
Reaxy-Rn | 29209411 |
Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29209411&ln= |
分子量 | 440.300 g/mol |
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XLogP3 | 2.500 |
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 | 439.02 Da |
单同位素质量Monoisotopic Mass | 439.02 Da |
拓扑极表面积Topological Polar Surface Area | 87.300 Ų |
重原子数Heavy Atom Count | 26 |
形式电荷Formal Charge | 0 |
复杂度Complexity | 640.000 |
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 | 0 |
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 | 0 |
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 |
H319: 引起严重眼睛刺激 H301: 吞咽会中毒 |
预防措施声明 |
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。 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。 P270: 使用本产品时,请勿进食、饮水或吸烟。 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。 |
Reaxy-Rn | 29209411 |
Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29209411&ln= |
Concentration | 9-11(mmol/L) |
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Proton NMR spectrum | Conforms to Structure |