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ML 239 - ≥98%(HPLC), high purity , CAS No.1378872-36-6

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 1378872-36-6
Molecular Weight: 346.6
PubChem CID: 135999136
PubChem SID: 504773456

In stock

Item Number

M288626

Grouped product items
SKU	Size	Availability	Price
M288626-5mg	5mg	2	$57.90
M288626-25mg	25mg	2	$216.90
M288626-100mg	100mg	2	$779.90
M288626-250mg	250mg	2	$1,754.90
M288626-1g	1g	1	$6,316.90

Breast cancer stem cell inhibitor

Basic Description

Synonyms	BRD-K01121114-001-03-5 \| ML239 \| CHEBI:93468 \| CID 49843203 \| SMR002121604 \| ML239, >=98% (HPLC) \| 1378872-36-6 \| AKOS025293483 \| DEV 4 \| MLS003442353 \| BRD-K01121114-001-01-9 \| (E)-N'-((1H-Pyrrol-2-yl)methylene)-2-(2,4,6-trichlorophenoxy)acetohydrazide \|
Specifications & Purity	≥98%(HPLC)
Biochemical and Physiological Mechanisms	Breast cancer stem cell inhibitor (IC50= 1.16μM). Exhibits 24-fold selectivity for breast cancer stem cells over normal mammary epithelial cells. Also cytotoxic towards MDA-MB-231 breast cancer cellsin vitro.ML239 decreases the saturated and monounsaturat
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Application ML239 has been used as a proble in cellular lipid profiling.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol ethers
Alternative Parents	Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Substituted pyrroles Aryl chlorides Heteroaromatic compounds Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504773456
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504773456
IUPAC Name	N-[(E)-1H-pyrrol-2-ylmethylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
INCHI	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+
InChIKey	NVEDPFICKAIHKD-NGYBGAFCSA-N
Smiles	C1=CNC(=C1)C=NNC(=O)COC2=C(C=C(C=C2Cl)Cl)Cl
Isomeric SMILES	C1=CNC(=C1)/C=N/NC(=O)COC2=C(C=C(C=C2Cl)Cl)Cl
WGK Germany	3
PubChem CID	135999136
Molecular Weight	346.6

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
C2515049	Certificate of Analysis	Nov 11, 2022	M288626
C2304866	Certificate of Analysis	Nov 11, 2022	M288626
C2304872	Certificate of Analysis	Nov 11, 2022	M288626
C2304884	Certificate of Analysis	Nov 11, 2022	M288626
C2306051	Certificate of Analysis	Nov 11, 2022	M288626
C2306040	Certificate of Analysis	Nov 11, 2022	M288626

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 34.66, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 17.33, Max Conc. mM: 50
Molecular Weight	346.600 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	344.984 Da
Monoisotopic Mass	344.984 Da
Topological Polar Surface Area	66.500 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	372.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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