Products for Research Use Only

Pca 4233

CAT: 0013-GTR19211316-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211316-02Size:50 mg
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Description
PCA 4233 is a potent and selective antagonist of the platelet-activating factor (PAF) receptor. It is a valuable research tool for investigating PAF-mediated signaling pathways in inflammation, allergy, and anaphylaxis, with utility in both in vitro and in vivo experimental models.
CAS Number
81635-83-8
Smiles
C (OCCSC1=CC=CC=C1) (=O) C=2C (C) C (C (OCC) =O) =C (C) NC2C
Molecular Formula
C20H25NO4S
Molecular Weight
375.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pca 4233

structure given in first source

CAS Number81635-83-8
PubChem CID133736
IUPAC Name3-O-ethyl 5-O-(2-phenylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC20H25NO4S
Molecular Weight375.5
XLogP4
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity591
SMILES
CCOC(=O)C1=C(NC(=C(C1C)C(=O)OCCSC2=CC=CC=C2)C)C
InChI
InChI=1S/C20H25NO4S/c1-5-24-19(22)17-13(2)18(15(4)21-14(17)3)20(23)25-11-12-26-16-9-7-6-8-10-16/h6-10,13,21H,5,11-12H2,1-4H3
InChIKey
NPGXSXQWVRRLAU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pca 4233
CAS: 81635-83-8
CID: 133736
Formula: C20H25NO4S
MW: 375.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight375.5
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass375.15042945
Monoisotopic Mass375.15042945
Topological Polar Surface Area89.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity591
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