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Merck
CN

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

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About This Item

Empirical Formula (Hill Notation):
C18H19NO2S2
CAS Number:
94164-88-2
Molecular Weight:
345.48
MDL number:
MFCD31619244

Key Documents

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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

Related Categories

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).

Pictograms

Exclamation mark
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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000401929
0000401928
0000388447
0000388447
0000401928

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Rui-Yuan Pan et al.
Cell metabolism, 34(4), 634-648 (2022-03-19)
The pro-inflammatory activation of microglia is a hallmark of Alzheimer's disease (AD), and this process involves a switch from oxidative phosphorylation (OXPHOS) toward glycolysis. Here, we show how a positive feedback loop in microglia drives AD pathogenesis, and we demonstrate
Xianling Ning et al.
European journal of medicinal chemistry, 138, 343-352 (2017-07-09)
Pyruvate kinase M2 (PKM2) is a rate-limiting enzyme of the glycolytic pathway which is highly expressed in cancer cells. Cancer cells rely heavily on PKM2 for anabolic and energy requirements, and specific targeting of PKM2 therefore has potential as strategy
Jae Hyeon Park et al.
In vivo (Athens, Greece), 36(2), 694-703 (2022-03-05)
Pyruvate kinase M2 (PKM2) functions as an important rate-limiting enzyme in aerobic glycolysis and is involved in tumor initiation and progression. However, there are few studies on the correlation between PKM2 expression and its role in glioma. PKM2 expression was

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