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Laquinimod

CAT: 0931-T6561-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T6561-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
248281-84-7
Target
Apoptosis, NF-κB
Related Pathways
Apoptosis, NF-κB
Purity
0.9884
Bioactivity
Laquinimod (LAQ) is an effective immunomodulator, which is currently under development in phase III trials for the treatment of multiple sclerosis as an oral therapy.
Smiles
CCN(C(=O)c1c(O)n(C)c2cccc(Cl)c2c1=O)c1ccccc1
Molecular Formula
C19H17ClN2O3
Molecular Weight
356.8
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

Alternative Products

CatalogName
C17068-01Laquinimod
169700-01Laquinimod discontinued
GTR19186927-01Laquinimod sodium
AR-L06572-01Laquinimod-d5
HY-W062904Laquinimod (sodium)

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