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Merck
CN

SML0442

Sigma-Aldrich

ML239

≥98% (HPLC)

Synonym(s):

(2,4,6-Trichloro-phenoxy)-acetic acid (1H-pyrrol-2-ylmethylene)-hydrazide

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About This Item

Empirical Formula (Hill Notation):
C13H10Cl3N3O2
CAS Number:
1378872-36-6
Molecular Weight:
346.60
MDL number:
MFCD23098913
UNSPSC Code:
12352200
PubChem Substance ID:
329824724
NACRES:
NA.77

Key Documents

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Quality Level

100

Assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 15 mg/mL (clear solution)

storage temp.

2-8°C

SMILES string

Clc1cc(Cl)c(OCC(=O)N\N=C\c2ccc[nH]2)c(Cl)c1

InChI

1S/C13H10Cl3N3O2/c14-8-4-10(15)13(11(16)5-8)21-7-12(20)19-18-6-9-2-1-3-17-9/h1-6,17H,7H2,(H,19,20)/b18-6+

InChI key

NVEDPFICKAIHKD-NGYBGAFCSA-N

Related Categories

Application

ML239 has been used as a proble in cellular lipid profiling.

Biochem/physiol Actions

ML239 decreases the saturated and monounsaturated lysophosphatidylethanolamines in lung cancer cells and is toxic to breast cancer cells. ML239 may elicit toxicity by modulating the nuclear factor−κB (NF-κB) associated pathways.
ML239 is an inhibitor of breast cancer stem cells found from a screen using stem cell-like human mammary epithelial cells (HMLE). ML239 inhibited cancer stem cells with an IC50 of 1.16 μM with 24-fold selectivity against the control cell line.
ML239 is an inhibitor of breast cancer stem cells.

Pictograms

Exclamation markEnvironment
GHS07,GHS09

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Acute 1 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

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
092M4721V

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Phenotypic High-Throughput Screening Elucidates Target Pathway in Breast Cancer Stem Cell-Like Cells
Carmody LC, et al.
Journal of Biomolecular Screening, 17(9), 1204-1210 (2012)
Correlating chemical sensitivity and basal gene expression reveals mechanism of action
Rees MG, et al.
Nature chemical biology, 12(2), 109-109 (2016)

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