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Cgp 33304

CAT: 0013-GTR19195150-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195150-02Size:50 mg
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Description
CGP 33304 is a dual-acting small molecule that antagonizes leukotriene receptors and inhibits phospholipase A2. It is used in research to study airway constriction and hypoxia, particularly in models of shock, asthma, and inflammation, employing both in vitro assays and in vivo experimental models.
CAS Number
111130-14-4
Smiles
[Na].CCCc1c (O) c (ccc1OCCCOc1cc (NC (=O) c2nnn[nH]2) c (C) cc1Br) C (C) =O
Molecular Formula
C23H26BrN5NaO5
Molecular Weight
555.385
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cgp 33304
CAS Number111130-14-4
PubChem CID23693561
IUPAC Namesodium N-[5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-bromo-2-methylphenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene-5-carboxamide
Molecular FormulaC23H25BrN5NaO5
Molecular Weight554.4
Topological Polar Surface Area125
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count35
Formal Charge0
Complexity680
SMILES
CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C=C(C(=C2)NC(=O)C3=NN=N[N-]3)C)Br.[Na+]
InChI
InChI=1S/C23H26BrN5O5.Na/c1-4-6-16-19(8-7-15(14(3)30)21(16)31)33-9-5-10-34-20-12-18(13(2)11-17(20)24)25-23(32)22-26-28-29-27-22;/h7-8,11-12H,4-6,9-10H2,1-3H3,(H3,25,26,27,28,29,30,31,32);/q;+1/p-1
InChIKey
RODQJMRHNNVXAG-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Cgp 33304
CAS: 111130-14-4
CID: 23693561
Formula: C23H25BrN5NaO5
MW: 554.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight554.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass553.09368
Monoisotopic Mass553.09368
Topological Polar Surface Area125 Ų
Heavy Atom Count35
Formal Charge0
Complexity680
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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