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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...
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