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Paquinimod

CAS No.:
248282-01-1
Catalog Number:
AG00BJNN
Molecular Formula:
C21H22N2O3
Molecular Weight:
350.4110
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
98%
1 week
United States
$265
- +
50mg
98%
1 week
United States
$682
- +
100mg
98%
1 week
United States
$1098
- +
Product Description
Catalog Number:
AG00BJNN
Chemical Name:
Paquinimod
CAS Number:
248282-01-1
Molecular Formula:
C21H22N2O3
Molecular Weight:
350.4110
MDL Number:
MFCD18633277
IUPAC Name:
N,5-diethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
InChI:
InChI=1S/C21H22N2O3/c1-4-14-10-9-13-16-17(14)19(24)18(20(25)22(16)3)21(26)23(5-2)15-11-7-6-8-12-15/h6-13,24H,4-5H2,1-3H3
InChI Key:
DIKSYHCCYVYKRO-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1c(O)c2c(CC)cccc2n(c1=O)C)c1ccccc1
EC Number:
607-446-0
UNII:
HB76GLG27V
Properties
Complexity:
580  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.163g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
350.418g/mol
Monoisotopic Mass:
350.163g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Pharmacokinetics, tolerability, and preliminary efficacy of paquinimod (ABR-215757), a new quinoline-3-carboxamide derivative: studies in lupus-prone mice and a multicenter, randomized, double-blind, placebo-controlled, repeat-dose, dose-ranging study in patients with systemic lupus erythematosus. Arthritis and rheumatism 20120501
Specific effect of immunomodulatory quinoline-3-carboxamide ABR-215757 in GM-CSF stimulated bone marrow cell cultures: block of initiation of proliferation of Gr-1+ cells. International immunopharmacology 20110801
The impact of a new immunomodulator oxo-quinoline-3-carboxamide on the progression of experimental lupus. International immunopharmacology 20041101
Synthesis and biological evaluation of new 1,2-dihydro-4-hydroxy-2-oxo-3-quinolinecarboxamides for treatment of autoimmune disorders: structure-activity relationship. Journal of medicinal chemistry 20040408
Properties