ChemicalBook--->CAS DataBase List--->94164-88-2

94164-88-2

94164-88-2 Structure

94164-88-2 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack 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
Spectrum DetailBack Directory
[Spectrum Detail]

PKM2 inhibitor(94164-88-2)1HNMR
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