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MF63

CAS No.:
892549-43-8
Catalog Number:
AG00GTCB
Molecular Formula:
C23H11ClN4
Molecular Weight:
378.8132
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$94
- +
5mg
≥98%
1 week
United States
$169
- +
10mg
≥98%
1 week
United States
$264
- +
25mg
≥98%
1 week
United States
$479
- +
100mg
98%
1 week
United States
$1585
- +
Product Description
Catalog Number:
AG00GTCB
Chemical Name:
MF63
CAS Number:
892549-43-8
Molecular Formula:
C23H11ClN4
Molecular Weight:
378.8132
MDL Number:
MFCD18384972
IUPAC Name:
2-(6-chloro-3H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile
InChI:
InChI=1S/C23H11ClN4/c24-15-8-9-18-19(10-15)16-6-1-2-7-17(16)21-22(18)28-23(27-21)20-13(11-25)4-3-5-14(20)12-26/h1-10H,(H,27,28)
InChI Key:
BVFLHOOKHPFDCT-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1c1[nH]c2c(n1)c1ccccc1c1c2ccc(c1)Cl)C#N
UNII:
7TU641M876
Properties
Complexity:
667  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.067g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
378.819g/mol
Monoisotopic Mass:
378.067g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Literature
Title Journal
Dynamic modeling of human 5-lipoxygenase-inhibitor interactions helps to discover novel inhibitors. Journal of medicinal chemistry 20120322
Synthesis and SAR study of imidazoquinolines as a novel structural class of microsomal prostaglandin E₂ synthase-1 inhibitors. Bioorganic & medicinal chemistry letters 20120101
Trisubstituted ureas as potent and selective mPGES-1 inhibitors. Bioorganic & medicinal chemistry letters 20110301
Microsomal prostaglandin e synthase-1 in rheumatic diseases. Frontiers in pharmacology 20100101
Discovery of disubstituted phenanthrene imidazoles as potent, selective and orally active mPGES-1 inhibitors. Bioorganic & medicinal chemistry letters 20091015
MF498 [N-{[4-(5,9-Diethoxy-6-oxo-6,8-dihydro-7H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylbenzyl]sulfonyl}-2-(2-methoxyphenyl)acetamide], a selective E prostanoid receptor 4 antagonist, relieves joint inflammation and pain in rodent models of rheumatoid and osteoarthritis. The Journal of pharmacology and experimental therapeutics 20080501
Substituted phenanthrene imidazoles as potent, selective, and orally active mPGES-1 inhibitors. Bioorganic & medicinal chemistry letters 20071215
Properties