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Home Other Building Blocks 3-[1-[[(3'-Nitro[1,1'-biphenyl]-4-yl)oxy]methyl]-3-(4-pyridinyl)propyl]-2,4-thiazolidinedione

3-[1-[[(3'-Nitro[1,1'-biphenyl]-4-yl)oxy]methyl]-3-(4-pyridinyl)propyl]-2,4-thiazolidinedione

CAS No.:
227088-94-0
Catalog Number:
AG0037S5
Molecular Formula:
C24H21N3O5S
Molecular Weight:
463.5056
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$653
- +
250mg
95%
In Stock USA
United States
$913
- +
1g
95%
In Stock USA
United States
$1954
- +
Product Description
Catalog Number:
AG0037S5
Chemical Name:
3-[1-[[(3'-Nitro[1,1'-biphenyl]-4-yl)oxy]methyl]-3-(4-pyridinyl)propyl]-2,4-thiazolidinedione
CAS Number:
227088-94-0
Molecular Formula:
C24H21N3O5S
Molecular Weight:
463.5056
MDL Number:
MFCD11045276
IUPAC Name:
3-[1-[4-(3-nitrophenyl)phenoxy]-4-pyridin-4-ylbutan-2-yl]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C24H21N3O5S/c28-23-16-33-24(29)26(23)21(7-4-17-10-12-25-13-11-17)15-32-22-8-5-18(6-9-22)19-2-1-3-20(14-19)27(30)31/h1-3,5-6,8-14,21H,4,7,15-16H2
InChI Key:
VQEHBLGYANQWEA-UHFFFAOYSA-N
SMILES:
O=C1SCC(=O)N1C(CCc1ccncc1)COc1ccc(cc1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
688  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.12g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
463.508g/mol
Monoisotopic Mass:
463.12g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Literature
Title Journal
Inflammasome activation and IL-1β/IL-18 processing are influenced by distinct pathways in microglia. Journal of neurochemistry 20111101
Pharmacological properties of the rhesus macaque monkey P2X7 receptor. British journal of pharmacology 20110901
P2X(7) receptor-mediated release of cathepsins from macrophages is a cytokine-independent mechanism potentially involved in joint diseases. Journal of immunology (Baltimore, Md. : 1950) 20100815
Antagonists of the P2X(7) receptor. From lead identification to drug development. Journal of medicinal chemistry 20090528
Mechanism of action of species-selective P2X(7) receptor antagonists. British journal of pharmacology 20090401
Characterization of a selective and potent antagonist of human P2X(7) receptors, AZ11645373. British journal of pharmacology 20061201
Novel P2X7 receptor antagonists. Bioorganic & medicinal chemistry letters 20031117
Properties