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ML239

CAT: 0804-HY-19971-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-19971-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML239 is a potent and selective inhibitor of breast cancer stem cells, with an IC50 of 1.16 μM.
CAS Number
1378872-36-6
UNSPSC
12352005
Hazard Statement
H302+H312+H332, H315, H319, H335, H400
Target
Others
Type
Reference compound
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ML239.html
Purity
99.89
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(N/N=C/C1=CC=CN1)COC2=C(Cl)C=C(Cl)C=C2Cl
Molecular Formula
C13H10Cl3N3O2
Molecular Weight
346.60
Precautions
H302+H312+H332, H315, H319, H335, H400
References & Citations
[1]Germain AR, et al. Identification of a selective small molecule inhibitor of breast cancer stem cells. Bioorg Med Chem Lett. 2012 May 15;22 (10) :3571-4.|[2]Rees MG, et al. Correlating chemical sensitivity and basal gene expression reveals mechanism of action. Nat Chem Biol. 2016 Feb;12 (2) :109-16.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(E)-N'-((1H-Pyrrol-2-yl)methylene)-2-(2,4,6-trichlorophenoxy)acetohydrazide

N'-(2-pyrrolylidenemethyl)-2-(2,4,6-trichlorophenoxy)acetohydrazide is an aromatic ether.

CAS Number1378872-36-6
PubChem CID135999136
IUPAC NameN-[(E)-1H-pyrrol-2-ylmethylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
Molecular FormulaC13H10Cl3N3O2
Molecular Weight346.6
XLogP3.9
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity372
SMILES
C1=CNC(=C1)/C=N/NC(=O)COC2=C(C=C(C=C2Cl)Cl)Cl
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
Chemical Structure
2D Structure
2D structure of (E)-N'-((1H-Pyrrol-2-yl)methylene)-2-(2,4,6-trichlorophenoxy)acetohydrazide
CAS: 1378872-36-6
CID: 135999136
Formula: C13H10Cl3N3O2
MW: 346.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.6
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass344.983860
Monoisotopic Mass344.983860
Topological Polar Surface Area66.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity372
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
C15914-25mgML239
A20619-25ML239 25mg
A20619-10ML239 10mg
A20619-50ML239 50mg
A20619-200ML239 200mg
A20619-100ML239 100mg
A20619-5ML239 5mg
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