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I-SAP

CAT: 0013-GTR19192023-01Size: 100 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192023-01Size:100 µg
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Description
I-SAP is a potent and high-affinity thromboxane prostanoid (TP) receptor antagonist. It induces platelet shape change without aggregation (EC50 9.7 nM) and exhibits sub-nanomolar binding affinity to human platelets across physiologic pH. This compound is a valuable tool for investigating TP receptor function in cardiovascular and thrombotic research using in vitro platelet assays.
CAS Number
133538-58-6
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
C (/C=C\CCCC (O) =O) [C@H]1[C@]2 (C (C) (C) [C@] (C2) (C[C@@H]1NS (=O) (=O) C3=CC=C (I) C=C3) [H]) [H]
Molecular Formula
C22H30INO4S
Molecular Weight
531.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-(6,6-Dimethyl-3-(4-iodobenzenesulfonylamino)bicyclo(3.1.1.)hept-2-yl)-5-heptenoic acid

high affinity radiolabeled antagonist for platelet thromboxane A2-prostaglandin H2 receptors

CAS Number133538-58-6
PubChem CID6439355
IUPAC Name(E)-7-[3-[(4-iodophenyl)sulfonylamino]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
Molecular FormulaC22H30INO4S
Molecular Weight531.4
XLogP5.1
Topological Polar Surface Area91.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity707
SMILES
CC1(C2CC1C(C(C2)NS(=O)(=O)C3=CC=C(C=C3)I)C/C=C/CCCC(=O)O)C
InChI
InChI=1S/C22H30INO4S/c1-22(2)15-13-19(22)18(7-5-3-4-6-8-21(25)26)20(14-15)24-29(27,28)17-11-9-16(23)10-12-17/h3,5,9-12,15,18-20,24H,4,6-8,13-14H2,1-2H3,(H,25,26)/b5-3+
InChIKey
SZNMERGTFJHNSM-HWKANZROSA-N
Chemical Structure
2D Structure
2D structure of 7-(6,6-Dimethyl-3-(4-iodobenzenesulfonylamino)bicyclo(3.1.1.)hept-2-yl)-5-heptenoic acid
CAS: 133538-58-6
CID: 6439355
Formula: C22H30INO4S
MW: 531.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight531.4
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass531.09403
Monoisotopic Mass531.09403
Topological Polar Surface Area91.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity707
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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