(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

产品名称：

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

产品介绍：

产品说明

包装

5, 25 mg in glass bottle

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

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.

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.

基本信息

经验(实验)分子式	C₂₂H₂₀Cl₂F₂N₆O₃
分子量	525.34
PubChem化学物质编号	329825489

产品性质

质量水平	100
测定	≥98% (HPLC)
形式	powder
旋光性	[α]/D -85 to -95°, c = 1 in methanol
颜色	white to beige
溶解性	DMSO: 25 mg/mL, clear
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

安全信息

象形图
警示用语：	Warning
危险声明	H302
预防措施声明	P301 + P312 + P330
危险分类	Acute Tox. 4 Oral
储存分类代码	13 - Non Combustible Solids
WGK	WGK 3
闪点(F)	Not applicable
闪点(C)	Not applicable