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PSI-697

CAT: 0931-T16676-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T16676-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
851546-61-7
Target
Others
Related Pathways
Others
Purity
0.9964
Bioactivity
PSI-697 (P-Selectin Inhibitor) is an orally active P-selectin inhibitor with anti-inflammatory and anti-thrombotic effects, useful for studying cardiovascular diseases such as atherosclerosis.
Smiles
O=C(O)C1=C(O)C(=NC2=C1C=CC3=C2CCCC3)CC4=CC=C(Cl)C=C4
Molecular Formula
C21H18ClNO3
Molecular Weight
367.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Psi-697

PSI-697 has been used in trials studying the treatment of Scleritis.

CAS Number851546-61-7
PubChem CID12004316
IUPAC Name2-[(4-chlorophenyl)methyl]-3-hydroxy-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid
Molecular FormulaC21H18ClNO3
Molecular Weight367.8
XLogP5.9
Topological Polar Surface Area70.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity507
SMILES
C1CCC2=C(C1)C=CC3=C(C(=C(N=C23)CC4=CC=C(C=C4)Cl)O)C(=O)O
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)
InChIKey
DIEPFYNZGUUVHD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Psi-697
CAS: 851546-61-7
CID: 12004316
Formula: C21H18ClNO3
MW: 367.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.8
XLogP35.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass367.0975211
Monoisotopic Mass367.0975211
Topological Polar Surface Area70.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity507
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-15526-01PSI-697
A21134-10PSI-697 10mg
A21134-1PSI-697 1mg
A21134-5PSI-697 5mg
A21134-100PSI-697 100mg
A21134-50PSI-697 50mg
A21134-25PSI-697 25mg
A21134-10mM-DPSI-697 10mM * 1mL in DMSO
CSC-C0217697
B6737-5DuP 697

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