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IS-145

CAT: 0013-GTR19209537-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209537-01Size:25 mg
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Description
IS-145 is a selective antagonist of the thromboxane A2 (TP) receptor. This small molecule inhibitor is utilized in research to study thromboxane-mediated pathways in cardiovascular diseases, thrombosis, and inflammation, with applications in both in vitro and in vivo experimental models.
CAS Number
149732-41-2
Smiles
N (S (=O) (=O) C1=CC=C (I) C=C1) [C@H]2[C@H] (C/C=C\CCCC (O) =O) [C@@]3 (C[C@]2 (CC3) [H]) [H]
Molecular Formula
C20H26INO4S
Molecular Weight
503.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

IS 145

a thromboxane A2 receptor antagonist

CAS Number149732-41-2
PubChem CID44153551
IUPAC Name(Z)-7-[(1S,2S,3R,4R)-3-[(4-iodophenyl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
Molecular FormulaC20H26INO4S
Molecular Weight503.4
XLogP4.3
Topological Polar Surface Area91.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count27
Formal Charge0
Complexity637
SMILES
C1C[C@@H]2C[C@H]1[C@@H]([C@@H]2NS(=O)(=O)C3=CC=C(C=C3)I)C/C=C\CCCC(=O)O
InChI
InChI=1S/C20H26INO4S/c21-16-9-11-17(12-10-16)27(25,26)22-20-15-8-7-14(13-15)18(20)5-3-1-2-4-6-19(23)24/h1,3,9-12,14-15,18,20,22H,2,4-8,13H2,(H,23,24)/b3-1-/t14-,15+,18-,20+/m0/s1
InChIKey
YZLZWIBMWPZHMO-KHIMZQFYSA-N
Chemical Structure
2D Structure
2D structure of IS 145
CAS: 149732-41-2
CID: 44153551
Formula: C20H26INO4S
MW: 503.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight503.4
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass503.06273
Monoisotopic Mass503.06273
Topological Polar Surface Area91.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity637
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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