Home Carboxys 6-Fluoro-2-(2'-fluoro-[1,1'-biphenyl]-4-yl)-3-methylquinoline-4-carboxylic acid

6-Fluoro-2-(2'-fluoro-[1,1'-biphenyl]-4-yl)-3-methylquinoline-4-carboxylic acid

CAS No.:
96187-53-0
Catalog Number:
AG006SF2
Molecular Formula:
C23H15F2NO2
Molecular Weight:
375.3675
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
99%
1 week
United States
$173
- +
10mg
99%
1 week
United States
$240
- +
20mg
>98.0%(HPLC)
1 week
United States
$260
- +
Product Description
Catalog Number:
AG006SF2
Chemical Name:
6-Fluoro-2-(2'-fluoro-[1,1'-biphenyl]-4-yl)-3-methylquinoline-4-carboxylic acid
CAS Number:
96187-53-0
Molecular Formula:
C23H15F2NO2
Molecular Weight:
375.3675
MDL Number:
MFCD00866437
IUPAC Name:
6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acid
InChI:
InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)
InChI Key:
PHEZJEYUWHETKO-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(C(=O)O)c(c(n2)c1ccc(cc1)c1ccccc1F)C
UNII:
5XL19F49H6
Properties
Complexity:
551  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.107g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
375.375g/mol
Monoisotopic Mass:
375.107g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  
Literature
Title Journal
On dihydroorotate dehydrogenases and their inhibitors and uses. Journal of medicinal chemistry 20130425
New inhibitors of dihydroorotate dehydrogenase (DHODH) based on the 4-hydroxy-1,2,5-oxadiazol-3-yl (hydroxyfurazanyl) scaffold. European journal of medicinal chemistry 20120301
Potent antiviral activity of brequinar against the emerging Cantagalo virus in cell culture. International journal of antimicrobial agents 20111101
Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures. Bioorganic & medicinal chemistry letters 20100315
The structures of human dihydroorotate dehydrogenase with and without inhibitor reveal conformational flexibility in the inhibitor and substrate binding sites. Biochemistry 20080826
Biochemical characterization of recombinant dihydroorotate dehydrogenase from the opportunistic pathogenic yeast Candida albicans. The FEBS journal 20060701
Brequinar derivatives and species-specific drug design for dihydroorotate dehydrogenase. Bioorganic & medicinal chemistry letters 20060315
Dual binding mode of a novel series of DHODH inhibitors. Journal of medicinal chemistry 20060223
Biphenyl-4-ylcarbamoyl thiophene carboxylic acids as potent DHODH inhibitors. Bioorganic & medicinal chemistry letters 20060115
Synthesis of brequinar analogue inhibitors of malaria parasite dihydroorotate dehydrogenase. Bioorganic & medicinal chemistry 20050315
Inhibitor binding in a class 2 dihydroorotate dehydrogenase causes variations in the membrane-associated N-terminal domain. Protein science : a publication of the Protein Society 20040401
Malarial dihydroorotate dehydrogenase. Substrate and inhibitor specificity. The Journal of biological chemistry 20021101
In vitro and in Vivo inhibition of immunoglobulin secretion by the immunosuppressive compound HR325 is reversed by exogenous uridine. Scandinavian journal of immunology 20020701
Inhibition of cyclosporin-resistant B-cell antigen responses by pyrazoles: a tool for the identification of novel molecular mechanisms of B-cell activation. Transplantation proceedings 20010501
Multiple inhibitor analysis of the brequinar and leflunomide binding sites on human dihydroorotate dehydrogenase. Biochemistry 20010220
Anti-arthritic effects of KF20444, a new immunosuppressive compound inhibiting dihydroorotate dehydrogenase, on rat collagen-induced arthritis. Inflammation research : official journal of the European Histamine Research Society ... [et al.] 20010101
Immunosuppressive drugs: the first 50 years and a glance forward. Immunopharmacology 20000501
Kinetics of inhibition of human and rat dihydroorotate dehydrogenase by atovaquone, lawsone derivatives, brequinar sodium and polyporic acid. Chemico-biological interactions 20000103
Species-related inhibition of human and rat dihydroorotate dehydrogenase by immunosuppressive isoxazol and cinchoninic acid derivatives. Biochemical pharmacology 19981101
Structural and functional comparison of agents interfering with dihydroorotate, succinate and NADH oxidation of rat liver mitochondria. Biochemical pharmacology 19981015
2',3'-Didehydro-3'-deoxythymidine: regulation of its metabolic activation by modulators of thymidine-5'-triphosphate biosynthesis. Molecular pharmacology 19960701
Phase I clinical and pharmacokinetic trial of Brequinar sodium (DuP 785; NSC 368390). Cancer research 19890815
The role of the tail in temperature regulation of the cotton rat, Sigmodon hispidus. Comparative biochemistry and physiology. A, Comparative physiology 19751201
Properties