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ML318

CAT: 0013-GTR19165591-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165591-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML318 is a potent biaryl nitrile inhibitor of the PvdQ acylase, exhibiting an IC50 of 20 nM. It effectively suppresses Pseudomonas aeruginosa (PAO1) growth (IC50 = 19 μM) and pyoverdine siderophore production, particularly under iron-limiting conditions, making it a valuable tool for studying quorum sensing and virulence pathways in vitro.
CAS Number
1610516-67-0
Product Name Alternative
Acylase, acyl-binding, Antibiotic, PAO1, ML 318, ML318, ML-318, PvdQ, PvdQ acylase, iron, inhibit, Inhibitor, production, site, pyoverdine, P.aeruginosa
Field of Research
Infectious Disease & Virology
Purity
98.65% (May vary between batches)
Solubility
DMSO:60 mg/mL (214.12 mM)
Smiles
Fc1ccc (cc1) C (C#N) c1cccc (n1) C (F) (F) F
Molecular Formula
C14H8F4N2
Molecular Weight
280.22
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

ML318
CAS Number1610516-67-0
PubChem CID56604881
IUPAC Name2-(4-fluorophenyl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile
Molecular FormulaC14H8F4N2
Molecular Weight280.22
XLogP3.3
Topological Polar Surface Area36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity365
SMILES
C1=CC(=NC(=C1)C(F)(F)F)C(C#N)C2=CC=C(C=C2)F
InChI
InChI=1S/C14H8F4N2/c15-10-6-4-9(5-7-10)11(8-19)12-2-1-3-13(20-12)14(16,17)18/h1-7,11H
InChIKey
DXQNDKQUHKVTTC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ML318
CAS: 1610516-67-0
CID: 56604881
Formula: C14H8F4N2
MW: 280.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.22
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass280.06236091
Monoisotopic Mass280.06236091
Topological Polar Surface Area36.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity365
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
M22095-01ML318
HY-129123RML318 (Standard)

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