WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 530997
Description: MDK4882, also known as PKM2 inhibitor or compound 3k, is a PKM2 inhibitor. MDK4882 was first described in Eur J Med Chem. 2017;138:343-352. Currently there is no formal name. We temporarily name it MDK4882 for the convenience of communication, in which the last 4 digit of CAS# is used. MDK4882 displayed more potent PKM2 inhibitory activity than the reported optimal PKM2 inhibitor shikonin. MDK4882 also showed nanomolar antiproliferative activity toward a series of cancer cell lines with high expression of PKM2 including HCT116, Hela and H1299 with IC50 values ranging from 0.18 to 1.56 μM. MDK4882 exhibited more cytotoxicity on cancer cells than normal cells.
MedKoo Cat#: 530997
Chemical Formula: C18H19NO2S2
Exact Mass: 345.0857
Molecular Weight: 345.475
Elemental Analysis: C, 62.58; H, 5.54; N, 4.05; O, 9.26; S, 18.56
Synonym: PKM2 inhibitor; MDK4882; MDK-4882; MDK 4882; compound 3k
IUPAC/Chemical Name: (3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)methyl piperidine-1-carbodithioate
InChi Key: STAFOGVMELKGRI-UHFFFAOYSA-N
InChi Code: InChI=1S/C18H19NO2S2/c1-12-15(11-23-18(22)19-9-5-2-6-10-19)17(21)14-8-4-3-7-13(14)16(12)20/h3-4,7-8H,2,5-6,9-11H2,1H3
SMILES Code: O=C1C(CSC(N2CCCCC2)=S)=C(C)C(C3=CC=CC=C31)=O
1: Ning X, Qi H, Li R, Li Y, Jin Y, McNutt MA, Liu J, Yin Y. Discovery of novel naphthoquinone derivatives as inhibitors of the tumor cell specific M2 isoform of pyruvate kinase. Eur J Med Chem. 2017 Sep 29;138:343-352. doi: 10.1016/j.ejmech.2017.06.064. Epub 2017 Jun 29. PubMed PMID: 28688274.