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CGS 22652

CAT: 0013-GTR19208460-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208460-01Size:25 mg
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Description
CGS 22652 is a dual-action small molecule that acts as both a thromboxane receptor antagonist and a thromboxane synthase inhibitor. It is used in research to study thromboxane-mediated pathways in cardiovascular diseases, thrombosis, and inflammation in both in vitro and in vivo experimental models.
CAS Number
134235-78-2
Smiles
S (NCCCCC (CCCC=1C=CC=NC1) CCC (O) =O) (=O) (=O) C2=CC=C (Cl) C=C2
Molecular Formula
C22H29ClN2O4S
Molecular Weight
452.99
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cgs 22652

has thromboxane receptor antagonism combined with thromboxane synthase inhibition; structure given in first source

CAS Number134235-78-2
PubChem CID131717
IUPAC Name8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoic acid
Molecular FormulaC22H29ClN2O4S
Molecular Weight453.0
XLogP4.9
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Heavy Atom Count30
Formal Charge0
Complexity588
SMILES
C1=CC(=CN=C1)CCCC(CCCCNS(=O)(=O)C2=CC=C(C=C2)Cl)CCC(=O)O
InChI
InChI=1S/C22H29ClN2O4S/c23-20-10-12-21(13-11-20)30(28,29)25-16-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-15-24-17-19/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,26,27)
InChIKey
ISMHAZMNDUAHLK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cgs 22652
CAS: 134235-78-2
CID: 131717
Formula: C22H29ClN2O4S
MW: 453.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.0
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Exact Mass452.1536563
Monoisotopic Mass452.1536563
Topological Polar Surface Area105 Ų
Heavy Atom Count30
Formal Charge0
Complexity588
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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