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PSI-112

CAT: 0013-GTR19209875-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209875-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PSI-112 is a synthetic small molecule inhibitor of fibrinolysis, the enzymatic breakdown of blood clots. It is utilized in cardiovascular and hemostasis research to study thrombus stability and the plasminogen activation system in both in vitro biochemical assays and in vivo animal models.
CAS Number
1854997-77-5
Smiles
C (OC1=CC=C (C[C@H] (NC (=O) [C@@H]2CC[C@@H] (CN) CC2) C (NCCCCCCCC) =O) C=C1) C3=NC4=C (C=C3) C=CC=C4
Molecular Formula
C35H48N4O3
Molecular Weight
572.78
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nalpha-[trans-4-(Aminomethyl)cyclohexane-1-Carbonyl]-N-Octyl-O-[(Quinolin-2-Yl)methyl]-L-Tyrosinamide
CAS Number1854997-77-5
PubChem CID127021019
IUPAC Name4-(aminomethyl)-N-[(2S)-1-(octylamino)-1-oxo-3-[4-(quinolin-2-ylmethoxy)phenyl]propan-2-yl]cyclohexane-1-carboxamide
Molecular FormulaC35H48N4O3
Molecular Weight572.8
XLogP6.6
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Heavy Atom Count42
Formal Charge0
Complexity778
SMILES
CCCCCCCCNC(=O)[C@H](CC1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)NC(=O)C4CCC(CC4)CN
InChI
InChI=1S/C35H48N4O3/c1-2-3-4-5-6-9-22-37-35(41)33(39-34(40)29-16-12-27(24-36)13-17-29)23-26-14-20-31(21-15-26)42-25-30-19-18-28-10-7-8-11-32(28)38-30/h7-8,10-11,14-15,18-21,27,29,33H,2-6,9,12-13,16-17,22-25,36H2,1H3,(H,37,41)(H,39,40)/t27?,29?,33-/m0/s1
InChIKey
ZGUNTZKJIWJKEH-JSJPEOMGSA-N
Chemical Structure
2D Structure
2D structure of Nalpha-[trans-4-(Aminomethyl)cyclohexane-1-Carbonyl]-N-Octyl-O-[(Quinolin-2-Yl)methyl]-L-Tyrosinamide
CAS: 1854997-77-5
CID: 127021019
Formula: C35H48N4O3
MW: 572.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight572.8
XLogP36.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Exact Mass572.37264141
Monoisotopic Mass572.37264141
Topological Polar Surface Area106 Ų
Heavy Atom Count42
Formal Charge0
Complexity778
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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