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Azd1283

CAS No.:
919351-41-0
Catalog Number:
AG00GU15
Molecular Formula:
C23H26N4O5S
Molecular Weight:
470.5413
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$307
- +
10mg
99%
1 week
United States
$490
- +
50mg
99%
1 week
United States
$1140
- +
100mg
99%
1 week
United States
$1473
- +
Product Description
Catalog Number:
AG00GU15
Chemical Name:
Azd1283
CAS Number:
919351-41-0
Molecular Formula:
C23H26N4O5S
Molecular Weight:
470.5413
MDL Number:
MFCD26395344
IUPAC Name:
ethyl 6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate
InChI:
InChI=1S/C23H26N4O5S/c1-3-32-23(29)20-13-19(14-24)21(25-16(20)2)27-11-9-18(10-12-27)22(28)26-33(30,31)15-17-7-5-4-6-8-17/h4-8,13,18H,3,9-12,15H2,1-2H3,(H,26,28)
InChI Key:
NEMHKCNXXRQYRF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1
Properties
Complexity:
835  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.162g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
470.544g/mol
Monoisotopic Mass:
470.162g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Structure of the human P2Y12 receptor in complex with an antithrombotic drug. Nature 20140501
5-alkyl-1,3-oxazole derivatives of 6-amino-nicotinic acids as alkyl ester bioisosteres are antagonists of the P2Y12 receptor. Future medicinal chemistry 20131101
Lead optimization of ethyl 6-aminonicotinate acyl sulfonamides as antagonists of the P2Y12 receptor. separation of the antithrombotic effect and bleeding for candidate drug AZD1283. Journal of medicinal chemistry 20130912
Hydrophobic interaction determined by partition in aqueous two-phase systems. Partition of proteins in systems containing fatty-acid esters of poly(ethylene glycol). European journal of biochemistry 19751201
Properties