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Laquinimod

CAT: 0013-GTR19169808-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19169808-01Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Laquinimod (LAQ) is an orally administered immunomodulatory small molecule in advanced clinical development for multiple sclerosis. It has demonstrated efficacy in both in vivo experimental autoimmune encephalomyelitis models and in vitro studies targeting immune cell modulation.
CAS Number
248281-84-7
Product Name Alternative
Chronic progressive, Apoptosis, carboxamide, ABR 215062, ABR215062, ABR-215062, Inhibitor, LAQ, Laquinimod, NFkB, neurodegeneration, neurodegenerative disease, Orally, Nuclear factor-κB, Nuclear factor-kappaB, NF-κB, NFκB, NF-kB, multiple sclerosis, inhibit, inflammation, immunomodulator, relapsing remitting
Field of Research
Cell Biology, Pharmacology & Drug Discovery, Signal Transduction
Purity
98.16% (May vary between batches)
Solubility
10% DMSO+90% Corn Oil:0.5 mg/mL (1.4 mM) ; Ethanol:1 mg/mL (2.8 mM) ; H2O:< 1 mg/mL (insoluble or slightly soluble) ; DMSO:8 mg/mL (22.42 mM)
Smiles
CCN (C (=O) c1c (O) n (C) c2cccc (Cl) c2c1=O) c1ccccc1
Molecular Formula
C19H17ClN2O3
Molecular Weight
356.8
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Laquinimod

Laquinimod is an aromatic amide.

CAS Number248281-84-7
PubChem CID54677946
IUPAC Name5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
Molecular FormulaC19H17ClN2O3
Molecular Weight356.8
XLogP3.7
Topological Polar Surface Area60.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity571
SMILES
CCN(C1=CC=CC=C1)C(=O)C2=C(C3=C(C=CC=C3Cl)N(C2=O)C)O
InChI
InChI=1S/C19H17ClN2O3/c1-3-22(12-8-5-4-6-9-12)19(25)16-17(23)15-13(20)10-7-11-14(15)21(2)18(16)24/h4-11,23H,3H2,1-2H3
InChIKey
GKWPCEFFIHSJOE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Laquinimod
CAS: 248281-84-7
CID: 54677946
Formula: C19H17ClN2O3
MW: 356.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.8
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass356.0927701
Monoisotopic Mass356.0927701
Topological Polar Surface Area60.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity571
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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C17068-01Laquinimod
169700-01Laquinimod discontinued
AR-L06572-01Laquinimod-d5
MBS5804309Laquinimod sodium
HY-W062904Laquinimod (sodium)
HY-13010R-01Laquinimod (Standard)

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