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BAY-598
产品别名
BAY-598
(S)-N-[1-{N′-Cyano-N-[3-(difluoromethoxy)phenyl]carbamimidoyl}-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxyacetamide
结构式
基本信息
| Empirical Formula【经验(实验)分子式】 | C22H20Cl2F2N6O3 |
| Molecular weight | 525.34 |
| PubChem Substance ID【PubChem化学物质编号】 | 329825489 |
| Biochem/physiol Actions【生化/生理作用】 | BAY-598 is a potent, peptide-competitive chemical probe for SET and MYND domain-containing protein 2 (SMYD2), a lysine methyl transferase inhibitor that dimethylates histone H3K36 and methylates histone H3K4. SMYD2 also methylates Lys-370 of p53, leading to decreased DNA-binding activity. SMYD2 is over-expressed in several cancers with poor prognosis. BAY-598 inhibits in vitro methylation of p53K370 with an IC50 value of 27 nM and in cells with an IC50 value < 1 μM. BAY-598 is more than 100-fold selective over other histone methyltransferases and non-epigenetic targets. BAY-598 can be used with in vivo experiments. For full characterization details, please visit the BAY-598 probe summary on the Structural Genomics Consortium (SGC) website. BAY-369 is the negative control for the active probe, BAY-598. To request a sample of the negative control from the SGC, click here. To learn about other SGC chemical probes for epigenetic targets, visit sigma.com/sgc |
| Features and Benefits【特点和优势】 | BAY-598 is an epigenetic chemical probe available through a partnership with the Structural Genomics Consortium (SGC). To learn more and view other SGC epigenetic probes, visit sigma.com/SGC. This compound is a featured product for Gene Regulation research. Click here to discover more featured Gene Regulation products. Learn more about bioactive small molecules for other areas of research at sigma.com/discover-bsm. |
| Other Notes【其他说明】 | BAY-598 has been expertly reviewed and recommended by the Chemical Probes Portal. For more information, please visit the BAY-598 probe summary on the Chemical Probes Portal website. |
产品性质
| Quality Level【质量水平】 | 100 |
| Assay【测定】 | ≥98% (HPLC) |
| form【形式】 | powder |
| optical activity【旋光性】 | [α]/D -85 to -95°, c = 1 in methanol |
| color【颜色】 | white to beige |
| solubility【溶解性】 | DMSO: 25 mg/mL, clear |
| storage temp.【储存温度】 | 2-8℃ |
| SMILES string | ClC1=C(Cl)C=C(C2=NN(C(NC3=CC=CC(OC(F)F)=C3)=NC#N)C[C@@H]2[C@H](CC)C(CO)=O)C=C1 |
| InChI | 1S/C23H21Cl2F2N5O3/c1-2-16(20(34)11-33)17-10-32(31-21(17)13-6-7-18(24)19(25)8-13)23(29-12-28)30-14-4-3-5-15(9-14)35-22(26)27/h3-9,16-17,22,33H,2,10-11H2,1H3,(H,29,30)/t16?,17-/m1/s1 |
| InChI key | LOHNYXGTWKNYDF-ZYMOGRSISA-N |
| packaging【包装】 | 5, 25 mg in glass bottle |
安全信息
| Pictograms【象形图】 | GHS07 |
| Signal word【警示用语：】 | Warning |
| Hazard Statements | H302 |
| Precautionary Statements | P301 + P312 + P330 |
| Hazard Classifications【危险分类】 | Acute Tox. 4 Oral |
| Storage Class Code【储存分类代码】 | 13 - Non Combustible Solids |
| WGK | WGK 3 |
