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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B426935-1ml |
1ml |
现货 ![]() |
|
英文别名 | AS-56859 | Refametinib (RDEA119, Bay 86-9766) | 3e8n | AKOS025401896 | RDEA119 | RDEA-119 | N-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl}-1-[(2S)-2,3-dihydroxypropyl]cyclopropanesulfonamide | RDSACQWTXKSHJT-NSHDSACASA-N | EX-A2481 | MF |
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规格或纯度 | Moligand™, 10mM in DMSO |
英文名称 | BAY 869766 |
储存温度 | -80℃储存 |
运输条件 | 超低温冰袋运输 |
作用类型 | 变构调节剂 |
作用机制 | 丝裂原活化蛋白激酶激酶 1 的变构调节剂;丝裂原活化蛋白激酶激酶 2 的变构调节剂 |
产品介绍 |
BAY 869766是一种有效的,非ATP竞争性高选择性的MEK-1和MEK-2抑制剂。 BAY 869766 a potent, non–ATP-competitive and highly selective inhibitor of MEK-1 and MEK-2. |
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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 | 685-136-4 |
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分子类型 | 小分子 |
IUPAC Name | N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide |
INCHI | InChI=1S/C19H20F3IN2O5S/c1-30-15-7-13(21)16(22)18(24-14-3-2-10(23)6-12(14)20)17(15)25-31(28,29)19(4-5-19)8-11(27)9-26/h2-3,6-7,11,24-27H,4-5,8-9H2,1H3/t11-/m0/s1 |
InChi Key | RDSACQWTXKSHJT-NSHDSACASA-N |
Canonical SMILES | COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)CC(CO)O)NC3=C(C=C(C=C3)I)F)F)F |
Isomeric SMILES | COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F |
关联CAS | 923032-37-5 |
UN Number | 3077 |
Packing Group | III |
MeSH Entry Terms | BAY 869766;BAY-869766;BAY869766;N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide;RDEA 119;RDEA-119;RDEA119;refametinib |
分子量 | 572.34 |
Reaxy-Rn | 12819124 |
Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12819124&ln= |
分子量 | 572.300 g/mol |
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XLogP3 | 2.800 |
氢键供体数Hydrogen Bond Donor Count | 4 |
氢键受体数Hydrogen Bond Acceptor Count | 10 |
可旋转键计数Rotatable Bond Count | 9 |
精确质量Exact Mass | 572.009 Da |
单同位素质量Monoisotopic Mass | 572.009 Da |
拓扑极表面积Topological Polar Surface Area | 116.000 Ų |
重原子数Heavy Atom Count | 31 |
形式电荷Formal Charge | 0 |
复杂度Complexity | 711.000 |
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 | 1 |
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 | GHS08 |
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信号词 | Danger |
危险声明 |
H372: 通过长时间或反复暴露对器官造成损害 H361: 怀疑破坏生育力或未出生的孩子 |
预防措施声明 |
P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P405: 密闭存放 P501: 将内容物/容器处理到。。。 P264: 处理后要彻底洗手。 P260: 不要吸入灰尘/烟雾/气体/雾/蒸汽/喷雾。 P270: 使用本产品时,请勿进食、饮水或吸烟。 P203: 使用前,获取、阅读并遵守所有安全说明。 P318: 如果暴露或担心,请就医。 P319: 如果你感到不适,请寻求医疗帮助。 |
Reaxy-Rn | 12819124 |
Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12819124&ln= |
Class | 9 |
Concentration(Compounding value) | 9.0-11.0(mmol/L) |
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Appearance(Colorless Transparent Liquid) | Pass |
Record the entire process by video | Conform |