2587612-25-5
Chemical Structure
MS2734
- CAS No.: 2587612-25-5
- Formula:C24H32N8O6
- Molecular Weight:528.56
IUPAC Name: (S)-2-amino-5-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(3-carbamoylphenethyl)amino)pentanoic acid
InChIKey: HSCPXDPGPWYINM-NMNPZVDOSA-N
SMILES: O[C@@H]1[C@H](O)[C@@H](CN(CCC[C@H](N)C(O)=O)CCC2=CC(C(N)=O)=CC=C2)O[C@H]1N3C=NC4=C(N)N=CN=C43
Biological Activity: MS2734 is a dual-substrate NNMT inhibitor that acts as a SAM (HY-B0617) competitor and a non-competitor of Nicotinamide (HY-B0150), with an IC50 of 14 μM and a Kd of 2.7 μM against hNNMT. MS2734 inhibits the methyltransferase activities of DOT1L (IC50 1.3 μM), PRMT7 (IC50 20 μM), BCDIN3D (IC50 40 μM) and SMYD2 (IC50 62 μM). MS2734 is applicable to research related to diabetes, obesity and various cancers[1][2][3].
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MS2734 | MS2734 is a dual-substrate NNMT inhibitor that acts as a SAM (HY-B0617) competitor and a non-competitor of Nicotinamide (HY-B0150), with an IC50 of 14 μM and a Kd of 2.7 μM against hNNMT. MS2734 inhibits the methyltransferase activities of DOT1L (IC50 1.3 μM), PRMT7 (IC50 20 μM), BCDIN3D (IC50 40 μM) and SMYD2 (IC50 62 μM). MS2734 is applicable to research related to diabetes, obesity and various cancers. | |||||||||||||||||||||
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- [1]. Babault N, et al. Discovery of Bisubstrate Inhibitors of Nicotinamide N-Methyltransferase (NNMT). J Med Chem. 2018 Feb 22;61(4):1541-1551. doi: 10.1021/acs.jmedchem.7b01422. Epub 2018 Jan 31. Erratum in: J Med Chem. 2018 Jul 12;61(13):5771-5772. [Content Brief]
- [2]. Policarpo RL, et al. High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide -Methyltransferase (NNMT). Journal of medicinal chemistry. 2019 Nov 14;62(21):9837-9873. [Content Brief]
- [3]. Li XY, et al. Nicotinamide N-Methyltransferase: A Promising Biomarker and Target for Human Cancer Therapy. Frontiers in oncology. 2022;12:894744. [Content Brief]
Keywords
