ML239
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    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.

Chemical Structure

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ML239
CAS# 1378872-36-6
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 408083
Name: ML239
CAS#: 1378872-36-6
Chemical Formula: C13H10Cl3N3O2
Exact Mass: 344.98
Molecular Weight: 346.592
Elemental Analysis: C, 45.05; H, 2.91; Cl, 30.68; N, 12.12; O, 9.23

Price and Availability

Size Price Availability Quantity
10mg USD -2 2 Weeks
25mg USD -2 2 Weeks
5g USD -2 2 Weeks
50mg USD -1 2 Weeks
100mg USD 450 2 Weeks
200mg USD 850 2 Weeks
500mg USD 1750 2 Weeks
1g USD 2950 2 Weeks
2g USD 5250 2 Weeks
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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:
Product Data
Instruction:
View handling instruction
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

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
Ethanol 17.3 50.00

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

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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.