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SB 224289 hydrochloride

CAT: 0607-B6641-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6641-10Size:10 mg
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Description
5-HT1B receptor antagonist
CAS Number
180084-26-8
Product Name Alternative
(2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl)(1'-methyl-6,7-dihydrospiro[furo[2,3-f]indole-3,4'-piperidin]-5(2H)-yl)methanone hydrochloride
Field of Research
GPCR G protein 5-HT Receptor
Purity
0.98
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
O=C(C1=CC=C(C2=CC=C(C3=NOC(C)=N3)C=C2C)C=C1)N4C5=C(CC4)C=C6OC[C@]7(C6=C5)CCN(C)CC7.Cl
Molecular Formula
C32H32N4O3·HCl
Molecular Weight
557.09
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

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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Alternative Products

CatalogName
HY-101105A-01SB-224289 (hydrochloride)
T12841-01SB-224289 hydrochloride
sc-361336SB 224289 hydrochloride
HY-101105ARSB-224289 (hydrochloride) (Standard)
A21920-10SB-224289 hydrochloride 10mg
A21920-100SB-224289 hydrochloride 100mg
A21920-50SB-224289 hydrochloride 50mg
A21920-25SB-224289 hydrochloride 25mg
A21920-5SB-224289 hydrochloride 5mg
A21920-10mM-DSB-224289 hydrochloride 10mM * 1mL in DMSO

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