WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 408083
CAS#: 1378872-36-6
Description: ML239 is a potent and selective inhibitor of breast cancer stem cells. ML239 was best-in-class with an IC(50)= 1.18 µM against HMLE_sh_ECad, demonstrated a >23-fold selectivity over the control line, and was toxic to another CSC-like line, HMLE_shTwist, and a breast carcinoma cell line, MDA-MB-231. Gene expression studies conducted with ML239-treated cells showed altered gene expression in the NF-κB pathway in the HMLE_sh_ECad line but not in the isogenic control line.
MedKoo Cat#: 408083
Name: ML239
CAS#: 1378872-36-6
Chemical Formula: C13H10Cl3N3O2
Exact Mass: 344.9839
Molecular Weight: 346.592
Elemental Analysis: C, 45.05; H, 2.91; Cl, 30.68; N, 12.12; O, 9.23
Synonym: ML239; ML-239; ML 239;
IUPAC/Chemical Name: (E)-N'-((1H-pyrrol-2-yl)methylene)-2-(2,4,6-trichlorophenoxy)acetohydrazide
InChi Key: NVEDPFICKAIHKD-NGYBGAFCSA-N
InChi Code: 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+
SMILES Code: O=C(N/N=C/C1=CC=CN1)COC2=C(Cl)C=C(Cl)C=C2Cl
Cancer stem cells (CSCs) are resistant to standard cancer treatments and are likely responsible for cancer recurrence, but few therapies target this subpopulation.
1: Rees MG, Seashore-Ludlow B, Cheah JH, Adams DJ, Price EV, Gill S, Javaid S, Coletti ME, Jones VL, Bodycombe NE, Soule CK, Alexander B, Li A, Montgomery P, Kotz JD, Hon CS, Munoz B, Liefeld T, Dančík V, Haber DA, Clish CB, Bittker JA, Palmer M, Wagner BK, Clemons PA, Shamji AF, Schreiber SL. Correlating chemical sensitivity and basal gene expression reveals mechanism of action. Nat Chem Biol. 2016 Feb;12(2):109-16. doi: 10.1038/nchembio.1986. Epub 2015 Dec 14. PMID: 26656090; PMCID: PMC4718762.
2: Carmody LC, Germain AR, VerPlank L, Nag PP, Muñoz B, Perez JR, Palmer MA. Phenotypic high-throughput screening elucidates target pathway in breast cancer stem cell-like cells. J Biomol Screen. 2012 Oct;17(9):1204-10. doi: 10.1177/1087057112458317. Epub 2012 Aug 30. PMID: 22941295.
3: Germain AR, Carmody LC, Morgan B, Fernandez C, Forbeck E, Lewis TA, Nag PP, Ting A, VerPlank L, Feng Y, Perez JR, Dandapani S, Palmer M, Lander ES, Gupta PB, Schreiber SL, Munoz B. Identification of a selective small molecule inhibitor of breast cancer stem cells. Bioorg Med Chem Lett. 2012 May 15;22(10):3571-4. doi: 10.1016/j.bmcl.2012.01.035. Epub 2012 Jan 25. PMID: 22503247.
4: Carmody L, Germain A, Morgan B, VerPlank L, Fernandez C, Forbeck E, Ting A, Feng Y, Perez J, Dandapani S, Munoz B, Palmer M, Lander E, Gupta PB, Schreiber SL. Identification of a Selective Small-Molecule Inhibitor of Breast Cancer Stem Cells - Probe 1. 2011 Apr 15 [updated 2013 Feb 28]. In: Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010–. PMID: 23658966.
