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SB-224289 hydrochloride

CAT: 0013-GTR19204847-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204847-01Size:25 mg
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Description
SB-224289 hydrochloride is a potent and selective 5-HT1B receptor antagonist. It has demonstrated anxiolytic-like effects in animal models and is widely used in neuroscience research to investigate serotonin receptor function in both in vitro and in vivo studies.
CAS Number
180084-26-8
Product Name Alternative
5HTReceptor, 5HT Receptor, 5-HT1B, 5-HT1B Receptor, SB224289 Hydrochloride, SB-224289 Hydrochloride, SB-224289A, SB 224289 Hydrochloride
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
97.82% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween-80+45% Saline:0.5 mg/mL (0.9 mM) ; DMSO:8.1 mg/mL (14.54 mM)
Smiles
Cl.CN1CCC2 (COc3cc4CCN (C (=O) c5ccc (cc5) -c5ccc (cc5C) -c5noc (C) n5) c4cc23) CC1
Molecular Formula
C32H33ClN4O3
Molecular Weight
557.08
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SB 224289 hydrochloride

SB 224289 hydrochloride is a hydrochloride that is the monohydrochloride salt of SB 224289. Selective 5-HT1B receptor antagonist (pKi = 8.2). Displays >60-fold selectivity over 5-HT1D, 5-HT1A, 5-HT1E, 5-HT1F, 5-HT2A and 5-HT2C receptors in radioligand binding and functional assays. Centrally active following oral administration in vivo. It has a role as a serotonergic antagonist and a prodrug. It contains a SB 224289(1+).

CAS Number180084-26-8
PubChem CID11226716
IUPAC Name[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride
Molecular FormulaC32H33ClN4O3
Molecular Weight557.1
Topological Polar Surface Area71.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count40
Formal Charge0
Complexity885
SMILES
CC1=C(C=CC(=C1)C2=NOC(=N2)C)C3=CC=C(C=C3)C(=O)N4CCC5=CC6=C(C=C54)C7(CCN(CC7)C)CO6.Cl
InChI
InChI=1S/C32H32N4O3.ClH/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32;/h4-9,16-18H,10-15,19H2,1-3H3;1H
InChIKey
GKGKBZYMDILCOF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SB 224289 hydrochloride
CAS: 180084-26-8
CID: 11226716
Formula: C32H33ClN4O3
MW: 557.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight557.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass556.2241186
Monoisotopic Mass556.2241186
Topological Polar Surface Area71.7 Ų
Heavy Atom Count40
Formal Charge0
Complexity885
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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