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BMY 28674

CAT: 0804-HY-100057Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-100057Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BMY 28674 (6-Hydroxybuspirone) is the active metabolite of the anxiolytic buspirone and is metabolized by CYP3A4.4. BMY 28674 binds to the serotonin (5-HT) receptor subtype 5-HT1A in the rat hippocampus and dorsal raphe (EC50s are 4 and 1 μM, respectively) and is an antagonist of dopamine D2, D3, and D4 receptors (IC50s are 3.1, 4.9, and 0.85 μM, respectively). BMY 28674 also inhibits organic cation transporter 1 (OCT1), OCT2, and OCT3 expressing human transporters in S2 proximal tubule cells in a concentration-dependent manner.
CAS Number
125481-61-0
Product Name Alternative
6-Hydroxybuspirone; 6'-Hydroxybuspirone; BMS 528215
UNSPSC
12352005
Hazard Statement
H301
Target
5-HT Receptor; Dopamine Receptor; Drug Metabolite
Type
Reference compound
Related Pathways
GPCR/G Protein; Metabolic Enzyme/Protease; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/bmy-28674.html
Smiles
O=C(N(CCCCN1CCN(C2=NC=CC=N2)CC1)C(C3)=O)C(O)C43CCCC4
Molecular Formula
C21H31N5O3
Molecular Weight
401.50
Precautions
P264-P270-P330-P405-P501
References & Citations
[1]Zhu, et al. Cytochrome P450 3A-mediated metabolism of buspirone in human liver microsomes. Drug Metab. Dispos. 33 (4), 500-507 (2005) .
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
5-HT1 Receptor; D2 Receptor; D3 Receptor; D4 Receptor; mLAG-3

Chemical Information

6-Hydroxybuspirone

6-hydroxy buspirone is a N-arylpiperazine.

CAS Number125481-61-0
PubChem CID9930913
IUPAC Name10-hydroxy-8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
Molecular FormulaC21H31N5O3
Molecular Weight401.5
XLogP1.2
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity581
SMILES
C1CCC2(C1)CC(=O)N(C(=O)C2O)CCCCN3CCN(CC3)C4=NC=CC=N4
InChI
InChI=1S/C21H31N5O3/c27-17-16-21(6-1-2-7-21)18(28)19(29)26(17)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9,18,28H,1-4,6-7,10-16H2
InChIKey
KOZNAHJIJGCFJJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Hydroxybuspirone
CAS: 125481-61-0
CID: 9930913
Formula: C21H31N5O3
MW: 401.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.5
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass401.24268987
Monoisotopic Mass401.24268987
Topological Polar Surface Area89.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity581
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

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