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P-Selectin Inhibitor

CAS No.:
851546-61-7
Catalog Number:
AG00G3PM
Molecular Formula:
C21H18ClNO3
Molecular Weight:
367.8255
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%
1 week
United States
$290
- +
5mg
99%
1 week
United States
$640
- +
10mg
99%
1 week
United States
$890
- +
50mg
99%
1 week
United States
$2557
- +
100mg
99%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG00G3PM
Chemical Name:
P-Selectin Inhibitor
CAS Number:
851546-61-7
Molecular Formula:
C21H18ClNO3
Molecular Weight:
367.8255
MDL Number:
MFCD09266779
IUPAC Name:
2-[(4-chlorophenyl)methyl]-3-hydroxy-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid
InChI:
InChI=1S/C21H18ClNO3/c22-14-8-5-12(6-9-14)11-17-20(24)18(21(25)26)16-10-7-13-3-1-2-4-15(13)19(16)23-17/h5-10,24H,1-4,11H2,(H,25,26)
InChI Key:
DIEPFYNZGUUVHD-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Cc1nc2c3CCCCc3ccc2c(c1O)C(=O)O
UNII:
LH1XC916ME
Properties
Complexity:
508  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.098g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
367.829g/mol
Monoisotopic Mass:
367.098g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9  
Literature
Title Journal
Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury. Journal of medicinal chemistry 20100826
P-selectin antagonism reduces thrombus formation in humans. Journal of thrombosis and haemostasis : JTH 20091101
Characterization of the novel P-selectin inhibitor PSI-697 [2-(4-chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[h] quinoline-4-carboxylic acid] in vitro and in rodent models of vascular inflammation and thrombosis. The Journal of pharmacology and experimental therapeutics 20080201
Resolution of venous thrombosis using a novel oral small-molecule inhibitor of P-selectin (PSI-697) without anticoagulation. Thrombosis and haemostasis 20070301
2-(4-Chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[H]quinoline-4-carboxylic acid (PSI-697): identification of a clinical candidate from the quinoline salicylic acid series of P-selectin antagonists. Journal of medicinal chemistry 20070111
Treatment with an oral small molecule inhibitor of P selectin (PSI-697) decreases vein wall injury in a rat stenosis model of venous thrombosis. Journal of vascular surgery 20060901
Properties