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Merck
CN

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

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About This Item

Empirical Formula (Hill Notation):
C22H28N4O3
CAS Number:
2247890-13-5
Molecular Weight:
396.48
UNSPSC Code:
12352200
NACRES:
NA.77

Key Documents

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color

white to beige

solubility

DMSO: 2 mg/mL, clear

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

InChI key

CKFRXCBNKKOFGO-IGEOTXOUSA-N

SMILES string

O=C1C[C@H](C)N(C(N2CC(C3)C3C2)=O)C4=CC=C(C(NCCC5CC5)=O)C=C4N1

assay

≥98% (HPLC)

form

powder

storage temp.

−20°C

Related Categories

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
Substrate-competitive, potent and selective SMYD3 inhibitor with >100-fold selectivity over other histone methyltransferases.

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.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000216092
0000216093
0000216093
0000216092
0000047452

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