2059892-29-2
Chemical Structure
MS453
- CAS No.: 2059892-29-2
- Formula:C20H27N5O3
- Molecular Weight:385.46
IUPAC Name: N-(3-((6,7-dimethoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl)amino)propyl)acrylamide
InChIKey: QTHRXIUTSUVNPH-UHFFFAOYSA-N
SMILES: COC1=C(C=C(C2=C1)N=C(N=C2NCCCNC(C=C)=O)N3CCCC3)OC
Biological Activity: MS453 is a potent and highly selective SETD8 inhibitor with an IC50 value of 804 nM. MS453 specifically modifies a cysteine residue close to the inhibitor binding site. MS453 is selective for 28 other methyltransferases. The crystal structure of MS453 reveals its binding mode to SETD8, providing an atomic-level view for the development of high-quality chemical probes for SETD8[1].
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MS453 | MS453 is a potent and highly selective SETD8 inhibitor with an IC50 value of 804 nM. MS453 specifically modifies a cysteine residue close to the inhibitor binding site. MS453 is selective for 28 other methyltransferases. The crystal structure of MS453 reveals its binding mode to SETD8, providing an atomic-level view for the development of high-quality chemical probes for SETD8. | |||||||||||||||||||||
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