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A-867744

CAS No.:
1000279-69-5
Catalog Number:
AG0000BR
Molecular Formula:
C20H19ClN2O3S
Molecular Weight:
402.8945
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
99%
1 week
United States
$230
- +
50mg
99%
1 week
United States
$640
- +
100mg
99%
1 week
United States
$1098
- +
Product Description
Catalog Number:
AG0000BR
Chemical Name:
A-867744
CAS Number:
1000279-69-5
Molecular Formula:
C20H19ClN2O3S
Molecular Weight:
402.8945
MDL Number:
MFCD16495814
IUPAC Name:
4-[5-(4-chlorophenyl)-2-methyl-3-propanoylpyrrol-1-yl]benzenesulfonamide
InChI:
InChI=1S/C20H19ClN2O3S/c1-3-20(24)18-12-19(14-4-6-15(21)7-5-14)23(13(18)2)16-8-10-17(11-9-16)27(22,25)26/h4-12H,3H2,1-2H3,(H2,22,25,26)
InChI Key:
ABACVOXFUHDKNZ-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cc(n(c1C)c1ccc(cc1)S(=O)(=O)N)c1ccc(cc1)Cl
UNII:
O6NW23A765
Properties
Complexity:
620  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.08g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
402.893g/mol
Monoisotopic Mass:
402.08g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Alpha3* and alpha 7 nAChR-mediated Ca2+ transient generation in IMR-32 neuroblastoma cells. Neurochemistry international 20101001
In vitro pharmacological characterization of a novel selective alpha7 neuronal nicotinic acetylcholine receptor agonist ABT-107. The Journal of pharmacology and experimental therapeutics 20100901
Positive allosteric modulation of alpha7 neuronal nicotinic acetylcholine receptors: lack of cytotoxicity in PC12 cells and rat primary cortical neurons. British journal of pharmacology 20091201
In vitro pharmacological characterization of a novel allosteric modulator of alpha 7 neuronal acetylcholine receptor, 4-(5-(4-chlorophenyl)-2-methyl-3-propionyl-1H-pyrrol-1-yl)benzenesulfonamide (A-867744), exhibiting unique pharmacological profile. The Journal of pharmacology and experimental therapeutics 20090701
Discovery of 4-(5-(4-chlorophenyl)-2-methyl-3-propionyl-1H-pyrrol-1-yl)benzenesulfonamide (A-867744) as a novel positive allosteric modulator of the alpha7 nicotinic acetylcholine receptor. Journal of medicinal chemistry 20090528
Properties