BAY-598

SIGMA/SML1603 - ≥98% (HPLC)

Synonym: (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

Empirical Formula (Hill Notation): C₂₂H₂₀Cl₂F₂N₆O₃
Molecular Weight: 525.34
Linear Formula: C₂₂H₂₀Cl₂F₂N₆O₃
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-SML1603-5MG	5 mg	$313.00 1/EA	Add To Favorites
45-SML1603-25MG	25 mg	$976.00 1/EA	Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	≥98% (HPLC)
color	white to beige
form	powder
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
optical activity	[α]/D -85 to -95°, c = 1 in methanol
Quality Level	100
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
solubility	DMSO: 25 mg/mL, clear
storage temp.	2-8°C

Biochem/physiol Actions:	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:	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 .
Features and Benefits:	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:	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.
Packaging:	5, 25 mg in glass bottle

Symbol	GHS07
Signal word	Warning
Hazard statements	H302
Precautionary statements	P301 + P312 + P330
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	≥98% (HPLC)
Storage Temp.	2-8°C
UNSPSC	12352200

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