MedKoo Cat#: 408083 | Name: ML239
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

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.

Chemical Structure

ML239
ML239
CAS#1378872-36-6

Theoretical Analysis

MedKoo Cat#: 408083

Name: ML239

CAS#: 1378872-36-6

Chemical Formula: C13H10Cl3N3O2

Exact Mass: 344.9839

Molecular Weight: 346.59

Elemental Analysis: C, 45.05; H, 2.91; Cl, 30.68; N, 12.12; O, 9.23

Price and Availability

Size Price Availability Quantity
100mg USD 450.00 2 Weeks
200mg USD 750.00 2 Weeks
500mg USD 2,650.00 2 Weeks
1g USD 3,850.00 2 Weeks
2g USD 6,250.00 2 Weeks
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Related CAS #
No Data
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
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Cancer stem cells (CSCs) are resistant to standard cancer treatments and are likely responsible for cancer recurrence, but few therapies target this subpopulation.
Product Data
Biological target:
ML239 is a potent and selective inhibitor of breast cancer stem cells, with an IC50 of 1.16 μM.
In vitro activity:
The optimized compound was declared as a probe (ML239) with the NIH Molecular Libraries Program and displayed greater than 20-fold selective inhibition of the breast CSC-like cell line (HMLE_sh_Ecad) over the isogenic control line (HMLE_sh_GFP). Reference: Bioorg Med Chem Lett. 2012 May 15;22(10):3571-4. https://pubmed.ncbi.nlm.nih.gov/22503247/
In vivo activity:
TBD
Solvent mg/mL mM comments
Solubility
Ethanol 17.3 50.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 346.59 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
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. 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.
In vitro protocol:
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. 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.
In vivo protocol:
TBD
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.