ChemicalBook--->CAS DataBase List--->2247890-13-5

2247890-13-5

2247890-13-5 Structure

2247890-13-5 Structure
IdentificationBack Directory
[Name]

BAY-6035
[CAS]

2247890-13-5
[Synonyms]

BAY-6035
1H-1,5-Benzodiazepine-7-carboxamide, 1-(3-azabicyclo[3.1.0]hex-3-ylcarbonyl)-N-(2-cyclopropylethyl)-2,3,4,5-tetrahydro-2-methyl-4-oxo-, (2S)-
[Molecular Formula]

C22H28N4O3
[MDL Number]

MFCD31808259
[MOL File]

2247890-13-5.mol
[Molecular Weight]

396.48
Chemical PropertiesBack Directory
[storage temp. ]

Store at -20°C
[solubility ]

DMSO:39.65(Max Conc. mg/mL);100.0(Max Conc. mM)
Ethanol:39.65(Max Conc. mg/mL);100.0(Max Conc. mM)
[form ]

A crystalline solid
[color ]

White to off-white
[InChIKey]

CKFRXCBNKKOFGO-IGEOTXOUSA-N
[SMILES]

N1(C(N2CC3C(C3)C2)=O)C2=CC=C(C(NCCC3CC3)=O)C=C2NC(=O)C[C@@H]1C
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Description]

BAY 6035 is a potent and selective SMYD3 inhibitor.
[in vitro]

BAY-6035 specifically inhibited the methylation of MAP3K2 by SMYD3 in a cellular mechanistic assay with an IC50 <100 nM._x000D_ _x000D_ Reference: SLAS Discov. 2021 Jun 21:24725552211019409. https://journals.sagepub.com/doi/10.1177/24725552211019409?url_ver=Z39.88-2003&rfr_id=ori:rid:crossref.org&rfr_dat=cr_pub%20%200pubmed
[target]

BAY-6035 is a SMYD3 inhibitor.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

BAY-6035(2247890-13-5)1HNMR
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