2755823-12-0
Chemical Structure
SETDB1-TTD-IN-1
- CAS No.: 2755823-12-0
- Formula:C28H31N5O2
- Molecular Weight:469.58
IUPAC Name: 3-allyl-2-(((3R,5R)-5-(4-(benzyloxy)phenyl)-1-methylpiperidin-3-yl)amino)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
InChIKey: NBDJDKAXIGWAIM-XZOQPEGZSA-N
SMILES: CN1C[C@@H](C2=CC=C(OCC3=CC=CC=C3)C=C2)C[C@@H](NC4=NC5=C(C(N4CC=C)=O)NC=C5)C1
Biological Activity: SETDB1-TTD-IN-1 is a SETDB1 methyltransferase activator and SETDB1-TTD competitive inhibitor (Kd of 88 nM), and selectivity for SETDB1-TTD over other tudor and bromodomain proteins. SETDB1-TTD-IN-1 stimulates methyltransferase activity via increased catalytic activity, promotes Akt1 Lys64 methylation, Akt1 Thr308 phosphorylation and activation. SETDB1-TTD-IN-1 prevents SETDB1-TTD-histone H3 peptide association, induces global gene expression changes, exhibits cellular target engagement, and acts as a tool compound for SETDB1-TTD function exploration. SETDB1-TTD-IN-1 can be used for the research of breast cancer[1][2].
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SETDB1-TTD-IN-1 | 99.93% | SETDB1-TTD-IN-1 is a SETDB1 methyltransferase activator and SETDB1-TTD competitive inhibitor (Kd of 88 nM), and selectivity for SETDB1-TTD over other tudor and bromodomain proteins. SETDB1-TTD-IN-1 stimulates methyltransferase activity via increased catalytic activity, promotes Akt1 Lys64 methylation, Akt1 Thr308 phosphorylation and activation. SETDB1-TTD-IN-1 prevents SETDB1-TTD-histone H3 peptide association, induces global gene expression changes, exhibits cellular target engagement, and acts as a tool compound for SETDB1-TTD function exploration. SETDB1-TTD-IN-1 can be used for the research of breast cancer. | ||||||||||||||||||||
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References
- [1]. Uguen M, et al. SETDB1 Triple Tudor Domain Ligand, (R,R)-59, Promotes Methylation of Akt1 in Cells. ACS Chem Biol. 2023 Aug 18;18(8):1846-1853. [Content Brief]
- [2]. Guo Y, et al. Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain. Angew Chem Int Ed Engl. 2021;60(16):8760-8765. [Content Brief]
