| Identification | Back Directory | [Name]
PKM2 inhibitor | [CAS]
94164-88-2 | [Synonyms]
PKM2-IN-1
compound 3k
PKM2 inhibitor
PKM2 inhibitor 1
PKM2-IN-1;COMPOUND 3K
PKM2 inhibitor(compound 3k)
piperidine-1-carbodithioic acid 3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-ylmethyl ester
1-Piperidinecarbodithioic acid, (1,4-dihydro-3-methyl-1,4-dioxo-2-naphthalenyl)methyl ester | [Molecular Formula]
C18H19NO2S2 | [MDL Number]
MFCD31619244 | [MOL File]
94164-88-2.mol | [Molecular Weight]
345.48 |
| Chemical Properties | Back Directory | [Boiling point ]
496.5±55.0 °C(Predicted) | [density ]
1.302±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Store in freezer, under -20°C | [solubility ]
DMF: 1 mg/ml; DMSO: insol; Ethanol: insol; PBS (pH 7.2): insol | [form ]
A solid | [pka]
0.81±0.20(Predicted) | [color ]
Light yellow to yellow | [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 | [InChIKey]
STAFOGVMELKGRI-UHFFFAOYSA-N | [SMILES]
S(CC2=C(C(=O)c3c(cccc3)C2=O)C)C(=S)N1CCCCC1 |
| Hazard Information | Back Directory | [Uses]
PKM2-IN-1, is a pyruvate kinase M2 (PKM2) inhibitor with an IC50 of 2.95 μM. | [Biological Activity]
Pyruvate kinase M2 (PKM2) inhibitor superior to shikonin.
Compound 3k (C3k) is a pyruvate kinase M2 (PKM2) inhibitor with 3-fold higher potency than shikonin (IC50 = 2.95 and 8.82 μM respectivelyby in vitro PKM2 LDH coupled assay). C3k exhibits potent cancer cell-selective antiproliferative activity in high PKM2-expressing cancer cultures (HCT116/HeLA/H1299 IC50 = 0.18/0.29/1.56 μM with C3k1.84/2.45/1.88 μM with shikonin) with much less cytotoxicity toward normal BEAS-2B human bronchial epithelial cells (IC50 = 18.46 μM; IC50 = 5.36 μM with shikonin). | [storage]
Store at -20°C |
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