1378872-36-6

1378872-36-6 structure

Name: ML 239
Chemical Name: N'-[(E)-1H-Pyrrol-2-ylmethylene]-2-(2,4,6-trichlorophenoxy)acetoh ydrazide
CAS Number: 1378872-36-6
Molecular Formula: C₁₃H₁₀Cl₃N₃O₂
Molecular Weight: 346.596
Catalog: Research Areas Cancer
Create Date: 2017-02-13 23:02:21
Modify Date: 2025-08-21 10:13:50
ML239 is a potent and selective inhibitor of breast cancer stem cells, with an IC50 of 1.16 μM.

Name	N'-[(E)-1H-Pyrrol-2-ylmethylene]-2-(2,4,6-trichlorophenoxy)acetoh ydrazide
Synonyms	Acetic acid, 2-(2,4,6-trichlorophenoxy)-, 2-[(1E)-1H-pyrrol-2-ylmethylene]hydrazide N'-[(E)-1H-Pyrrol-2-ylmethylene]-2-(2,4,6-trichlorophenoxy)acetohydrazide (2,4,6-Trichloro-phenoxy)-acetic acid (1H-pyrrol-2-ylmethylene)-hydrazide ML239

Description	ML239 is a potent and selective inhibitor of breast cancer stem cells, with an IC50 of 1.16 μM.
Related Catalog	Signaling Pathways >> Others >> Others Research Areas >> Cancer
In Vitro	ML239 (Compound 7j) is a potent and selective inhibitor of breast cancer stem cells, with an IC50 of 1.16 μM, with ∼24-fold selectivity against the control cell line[1]. ML239 inhibits breast cancer stem-like cells, most likely through activation of fatty acid desaturase 2 (FADS2). ML239 is cytotoxic to NCIH661 cells, and FADS2 knockdown reduces ML239 cytotoxicity, and furthermore, FADS2 inhibitor SC-26196 also reduces ML239 cytotoxicity in cancer cell lines (CCLs)[2].
Cell Assay	Cancer cell lines (CCLs) are plated at a density of 500 cells/well in white opaque tissue-culture-treated Aurora 1536-well MaKO plates in the provider-recommended growth media using a highly automated platform. Compounds (ML239) are added by acoustic transfer using a Labcyte Echo 555. 24 hours after plating. The effects of small molecules (ML239) are measured over a 16-point concentration range (two-fold dilution) in duplicate. DMSO is used at a constant concentration of 0.33%, including vehicle-only control wells. As a surrogate for viability, cellular ATP levels are assessed 72 hours after compound transfer by addition of CellTiterGlo followed by luminescence measurement using a ViewLux Microplate Imager. Duplicates are averaged and luminescence values normalized to vehicle (DMSO) treatment and background (media-only) wells[2].
References	[1]. Germain AR, et al. Identification of a selective small molecule inhibitor of breast cancer stem cells. Bioorg Med Chem Lett. 2012 May 15;22(10):3571-4. [2]. Rees MG, et al. Correlating chemical sensitivity and basal gene expression reveals mechanism of action. Nat Chem Biol. 2016 Feb;12(2):109-16.

Density	1.5±0.1 g/cm3
Molecular Formula	C₁₃H₁₀Cl₃N₃O₂
Molecular Weight	346.596
Exact Mass	344.983856
PSA	69.97000
LogP	3.57
Index of Refraction	1.634
Storage condition	2-8℃

Symbol	GHS07, GHS09
Signal Word	Warning
Hazard Statements	H302 + H312 + H332-H315-H319-H335-H400
Precautionary Statements	P261-P273-P280-P305 + P351 + P338
RIDADR	UN 3077 9 / PGIII

1003-29-8

190588-40-0

~65%

1378872-36-6

Literature: THE BROAD INSTITUTE, INC.; GERMAIN, Andrew; MUNOZ, Benito; LEWIS, Timothy, A.; TING, Amal; YOUNGSAYE, Willmen; NAG, Partha, P.; DOCKENDORFF, Christopher; FERNANDEZ, Cristina, Victoria; DONCKELE, Etienne; MORGAN, Barbara; SKODA, Erin, M.; SHU, Byubg-Chul Patent: WO2013/32907 A1, 2013 ; Location in patent: Page/Page column 52 ;

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