SML4107

PKM2 inhibitor compound 3k

≥98% (HPLC)

• Synonym(s): Compound 3K, 3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)methyl piperidine-1-carbodithioate, C3K, C3k, Compound 3k, MDK 4882, MDK-4882, MDK4882, PKM2-IN-1
• Empirical Formula (Hill Notation): C₁₈H₁₉NO₂S₂
• CAS Number: 94164-88-2
• Molecular Weight: 345.48
• MDL number: MFCD31619244
• UNSPSC Code: 12352200

Properties

• Quality Level: 100
• Assay: ≥98% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear (Warmed)
• storage temp.: 2-8°C
• SMILES string: S(CC2=C(C(=O)c3c(cccc3)C2=O)C)C(=S)N1CCCCC1
• 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
• InChI key: STAFOGVMELKGRI-UHFFFAOYSA-N

Description

Biochem/physiol Actions

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, respectively, by 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 C3k, 1.84/2.45/1.88 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).

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302
• Precautionary Statements: P264 - P270 - P301 + P312 - P501
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable