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

Synonym(s):(2,4,6-Trichloro-phenoxy)-acetic acid (1H-pyrrol-2-ylmethylene)-hydrazide

CAS NO.：1378872-36-6
Empirical Formula: C13H10Cl3N3O2
Molecular Weight: 346.6
MDL number: MFCD23098913
EINECS: 604-604-1
SAFETY DATA SHEET (SDS)
Update Date: 2023-06-30 15:45:59

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

What is (2,4,6-Trichloro-phenoxy)-acetic acid (1H-pyrrol-2-ylmethylene)-hydrazide?

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.

The Uses of (2,4,6-Trichloro-phenoxy)-acetic acid (1H-pyrrol-2-ylmethylene)-hydrazide

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

Properties of (2,4,6-Trichloro-phenoxy)-acetic acid (1H-pyrrol-2-ylmethylene)-hydrazide

Density	1.50±0.1 g/cm3(Predicted)
storage temp.	Inert atmosphere,2-8°C
solubility	DMSO: soluble15mg/mL (clear solution)
pka	11.95±0.46(Predicted)
form	powder
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 information for (2,4,6-Trichloro-phenoxy)-acetic acid (1H-pyrrol-2-ylmethylene)-hydrazide

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07 Environment GHS09
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H400:Hazardous to the aquatic environment, acute hazard
Precautionary Statement Codes	P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for (2,4,6-Trichloro-phenoxy)-acetic acid (1H-pyrrol-2-ylmethylene)-hydrazide

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