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MLS000544460

CAT: 0804-HY-133511-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-133511-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MLS000544460 is a highly selective and reversible Eya2 phosphatase inhibitor with a Kd of 2.0 μM and an IC50 of 4 μM. MLS000544460 inhibit Eya2 phosphatase mediated cell migration and has anti-cancer activity[1].
CAS Number
352336-36-8
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Phosphatase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/mls000544460.html
Purity
99.42
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
FC1=CC=CC(C(N/N=C/C2=CC=C(SC3=CC=CC=N3)O2)=O)=C1
Molecular Formula
C17H12FN3O2S
Molecular Weight
341.36
Precautions
H315, H319, H335
References & Citations
[1]Krueger AB, et al. Allosteric inhibitors of the Eya2 phosphatase are selective and inhibit Eya2-mediated cellmigration. J Biol Chem. 2014 Jun 6;289 (23) :16349-61.
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

3-fluoro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
CAS Number352336-36-8
PubChem CID7285259
IUPAC Name3-fluoro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
Molecular FormulaC17H12FN3O2S
Molecular Weight341.4
XLogP4
Topological Polar Surface Area92.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity452
SMILES
C1=CC=NC(=C1)SC2=CC=C(O2)/C=N/NC(=O)C3=CC(=CC=C3)F
InChI
InChI=1S/C17H12FN3O2S/c18-13-5-3-4-12(10-13)17(22)21-20-11-14-7-8-16(23-14)24-15-6-1-2-9-19-15/h1-11H,(H,21,22)/b20-11+
InChIKey
VDKNIVFIPSLUFD-RGVLZGJSSA-N
Chemical Structure
2D Structure
2D structure of 3-fluoro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
CAS: 352336-36-8
CID: 7285259
Formula: C17H12FN3O2S
MW: 341.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.4
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass341.06342597
Monoisotopic Mass341.06342597
Topological Polar Surface Area92.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity452
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

Alternative Products

CatalogName
T12080-01MLS000544460

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