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BMY 7378 (free base)

CAT: 0804-HY-116982Size: 1 EachDry Ice: NoHazardous: No
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Description
BMY 7378 (free base) is a selective antagonist of α1D-adrenoceptor (α1D-AR) . BMY 7378 (free base) binds to membranes expressing the cloned rat α1D-AR with a >100-fold higher affinity (Ki=2 nM) than binding to either the cloned rat α1A-AR (Ki=800 nM) or the hamster α1B-AR (Ki=600 nM) . BMY 7378 (free base) is a 5-HT1A receptor partial agonist[1][2].
CAS Number
21102-94-3
UNSPSC
12352005
Target
5-HT Receptor; Adrenergic Receptor
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Smiles
O=C(N(CCN1CCN(C2=CC=CC=C2OC)CC1)C(C3)=O)CC43CCCC4
Molecular Formula
C22H31N3O3
Molecular Weight
385.50
References & Citations
[1]Piascik MT, et al. The specific contribution of the novel alpha-1D adrenoceptor to the contraction of vascular smooth muscle. J Pharmacol Exp Ther. 1995;275 (3) :1583-1589.|[2]Goetz AS, et al. BMY 7378 is a selective antagonist of the D subtype of alpha 1-adrenoceptors. Eur J Pharmacol. 1995;272 (2-3) :R5-R6.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
5-HT1 Receptor

Chemical Information

8-(2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)-8-azaspiro(4.5)decane-7,9-dione

8-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-8-azaspiro[4.5]decane-7,9-dione is a member of piperazines.

CAS Number21102-94-3
PubChem CID2419
IUPAC Name8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
Molecular FormulaC22H31N3O3
Molecular Weight385.5
XLogP2.8
Topological Polar Surface Area53.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity547
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)CC4(CCCC4)CC3=O
InChI
InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
InChIKey
AYYCFGDXLUPJAQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)-8-azaspiro(4.5)decane-7,9-dione
CAS: 21102-94-3
CID: 2419
Formula: C22H31N3O3
MW: 385.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.5
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass385.23654186
Monoisotopic Mass385.23654186
Topological Polar Surface Area53.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity547
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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