An inhibitor of NNMT
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Bisubstrate Inhibitor 78

Item No. 28567

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
(S)-2-amino-4-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(naphthalen-2-ylmethyl)amino)butanoic acid
CAS Number
2368247-39-4
Molecular Formula
C25H29N7O5
Formula Weight
507.5
Purity
≥98%
Formulation
A crystalline solid
Solubility(Learn about Variance in Solubility)
Chloroform: slightly solubleDMF: slightly solubleDMSO: slightly solubleEthanol: slightly solubleMethanol: slightly soluble
λmax
224 nm
SMILES
OC([C@@H](N)CCN(CC1=CC(C=CC=C2)=C2C=C1)C[C@@H]3[C@@H](O)[C@@H](O)[C@H](N4C5=NC=NC(N)=C5N=C4)O3)=O
InChi Code
InChI=1S/C25H29N7O5/c26-17(25(35)36)7-8-31(10-14-5-6-15-3-1-2-4-16(15)9-14)11-18-20(33)21(34)24(37-18)32-13-30-19-22(27)28-12-29-23(19)32/h1-6,9,12-13,17-18,20-21,24,33-34H,7-8,10-11,26H2,(H,35,36)(H2,27,28,29)/t17-,18+,20+,21+,24+/m0/s1
InChi Key
FISQGTLCZLBIAR-XCPBYIKRSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Wet ice in continental US; may vary elsewhere
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    500 µg

    $435

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    1 mg

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    5 mg

    $3,260

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    Cayman Chemical
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    Product Description

    Bisubstrate inhibitor 78 is an inhibitor of nicotinamide N-methyltransferase (NNMT; IC50 = 1.41 µM).1 It binds the NNMT active site in the binding pockets for the NNMT substrates S-adenosyl-L-methionine (SAM) and nicotinamide (Item No. 11127). Bisubstrate inhibitor 78 is selective for NNMT over histone-lysine N-methytransferase NSD2 and protein arginine methyltransferase 1 (PRMT1; IC50s = >50 µM for both). It reduces levels of 1-methylnicotinamide (MNA; Item No. 16604) in, and inhibits proliferation of, HSC-2 oral cancer cells when used at a concentration of 100 µM.

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Gao, Y., van Haren, M.J., Moret, E.E., et al. Bisubstrate inhibitors of nicotinamide N-methyltransferase (NNMT) with enhanced activity. J. Med. Chem. 62(14), 6597-6614 (2019).