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ChemicalBook--->CAS DataBase List--->1378872-36-6

1378872-36-6

1378872-36-6 Structure

1378872-36-6 Structure
IdentificationBack Directory
[Name]

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

1378872-36-6
[Synonyms]

ML239
CID49843203
CID-49843203
CID 49843203
CID-49843203;ML 239
NVEDPFICKAIHKD-NGYBGAFCSA-N
CID-49843203;CID 49843203;CID49843203;ML-239;ML 239;ML239;1378872-36-6
(2,4,6-Trichloro-phenoxy)-acetic acid (1H-pyrrol-2-ylmethylene)-hydrazide
N'-[(E)-1H-Pyrrol-2-ylmethylene]-2-(2,4,6-trichlorophenoxy)acetoh ydrazide
(E)-N'-((1H-pyrrol-2-yl)methylene)-2-(2,4,6-trichlorophenoxy)acetohydrazide
2-(2,4,6-Trichlorophenoxy)acetic acid (2E)-2-(1H-pyrrol-2-ylmethylene)hydrazide
ML239【(E)-N'-((1H-pyrrol-2-yl)methylene)-2-(2,4,6-trichlorophenoxy)acetohydrazide】
Acetic acid, 2-(2,4,6-trichlorophenoxy)-, (2E)-2-(1H-pyrrol-2-ylmethylene)hydrazide
[EINECS(EC#)]

604-604-1
[Molecular Formula]

C13H10Cl3N3O2
[MDL Number]

MFCD23098913
[MOL File]

1378872-36-6.mol
[Molecular Weight]

346.6
Chemical PropertiesBack Directory
[density ]

1.50±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

DMSO: soluble15mg/mL (clear solution)
[form ]

powder
[pka]

11.95±0.46(Predicted)
[color ]

white to beige
[Stability:]

Stable for 2 years from date of purchase as supplied. Solutions in DMSO, DMF or ethanol may be stored at -20° for up to 3 months.
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22-36/37/38
[Safety Statements ]

26
[RIDADR ]

UN 3077 9 / PGIII
[WGK Germany ]

3
Hazard InformationBack Directory
[Description]

ML-239 is an inhibitor of cancer stem cells, displaying greater than 23-fold selective inhibition of a breast cancer stem cell-like cell line (EC50 = 1.18 μM) over an isogenic control cell line (EC50 = 27.6 μM). It is also toxic to the breast carcinoma cell line MDA-MB-231. ML-239 alters the expression of genes in the MAPK, NF-κB, and inflammatory cytokine pathways. It is stable in saline and modestly stable in human plasma.
[Uses]

ML-239, is an inhibitor of breast cancer stem cells, with greater than 23 fold selectivity of inhibition in the cell line.
[Definition]

ChEBI: N'-(2-pyrrolylidenemethyl)-2-(2,4,6-trichlorophenoxy)acetohydrazide is an aromatic ether.
[storage]

Store at +4°C
[References]

1) Carmody et al. (2012), Phenotypic high-throughput screening elucidates target pathway in breast cancer stem cell-like cells; J. Biomol. Screening, 17 1204 2) Germain et al. (2012), Identification of a selective small molecule inhibitor of breast cancer stem cells; Bioorg. Med. Chem., 22 3571 3) Rees et al. (2015), Correlating chemical sensitivity and basal gene expression reveals mechanism of action; Nat. Chem. Biol. 12 109
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