MedKoo Cat#: 530997 | Name: MDK4882
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

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.

Chemical Structure

MDK4882
MDK4882
CAS#94164-88-2

Theoretical Analysis

MedKoo Cat#: 530997

Name: MDK4882

CAS#: 94164-88-2

Chemical Formula: C18H19NO2S2

Exact Mass: 345.0857

Molecular Weight: 345.48

Elemental Analysis: C, 62.58; H, 5.54; N, 4.05; O, 9.26; S, 18.56

Price and Availability

Size Price Availability Quantity
100mg USD 750.00 2 Weeks
200mg USD 1,250.00 2 Weeks
500mg USD 2,650.00 2 Weeks
1g USD 3,950.00 2 Weeks
2g USD 6,450.00 2 Weeks
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Related CAS #
No Data
Synonym
PKM2 inhibitor; MDK4882; MDK-4882; MDK 4882; compound 3k; PKM2-IN-1
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
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 345.48 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
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.