SML2325

BAY-6035

≥98% (HPLC)

• Synonym(s): (2S)-1-(3-Azabicyclo[3.1.0]hexane-3-carbonyl)-N-(2-cyclopropylethyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-7-carboxamide, BAY 6035, BAY6035
• Empirical Formula (Hill Notation): C₂₂H₂₈N₄O₃
• CAS Number: 2247890-13-5
• Molecular Weight: 396.48
• UNSPSC Code: 12352200
• NACRES: NA.77

Properties

• Assay: ≥98% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: −20°C
• SMILES string: O=C1C[C@H](C)N(C(N2CC(C3)C3C2)=O)C4=CC=C(C(NCCC5CC5)=O)C=C4N1
• InChI: 1S/C22H28N4O3/c1-13-8-20(27)24-18-10-15(21(28)23-7-6-14-2-3-14)4-5-19(18)26(13)22(29)25-11-16-9-17(16)12-25/h4-5,10,13-14,16-17H,2-3,6-9,11-12H2,1H3,(H,23,28)(H,24,27)/t13-,16?,17?/m0/s1

Description

Biochem/physiol Actions

BAY-6035 is a substrate-competitive, potent and selective SMYD3 inhibitor (IC50 = 88 nM by cell-free MEKK2 peptide methylation; IC50 = 70 nM against cellular MEKK2 methylation) with >100-fold selectivity over other histone methyltransferases. BAY-211 is a structural analog and the recommended inactive control (IC50 = 23 μM by cell-free MEKK2 peptide methylation) for BAY-6035. For characterization details of BAY-6035, please visit the BAY-6035 probe summary on the Structural Genomics Consortium (SGC) website.

BAY-444 is the negative control for the active probe, BAY-6035. 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-6035 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.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable