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Prazobind-d8

CAT: 0804-HY-118335S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-118335S-01Size:1 mg
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Description
Prazobind-d8 (SZL 49-d8) is the deuterium labeled Prazobind. Prazobind, a prazosin analog, is an irreversible α1-adrenoceptor antagonist. Prazobind competes for alpha 1-adrenoceptor binding sites with a similar potency (IC50 of 1 nM) in tissues enriched in both the alpha 1A (hippocampus) and alpha 1B (liver) subtypes. Prazobind partially inhibits the contractions of circular muscles, longitudinal muscles and smooth muscles of the spleen. Prazobind can be used for the study of blood pressure.
CAS Number
1189701-23-2
Product Name Alternative
SZL 49-d8
UNSPSC
12352005
Target
Adrenergic Receptor; Isotope-Labeled Compounds
Related Pathways
GPCR/G Protein; Neuronal Signaling; Others
Field of Research
Cardiovascular Disease
Solubility
10 mM in DMSO
Smiles
NC1=NC(N2C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C2([2H])[2H])C(C3=CC4CCC3C=C4)=O)=NC5=C1C=C(OC)C(OC)=C5
Molecular Formula
C23H19D8N5O3
Molecular Weight
429.54
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Prazobind-d8
CAS Number1189701-23-2
PubChem CID46782777
IUPAC Name[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(2-bicyclo[2.2.2]octa-2,5-dienyl)methanone
Molecular FormulaC23H27N5O3
Molecular Weight429.5
XLogP3
Topological Polar Surface Area93.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity735
SMILES
[2H]C1(C(N(C(C(N1C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC)([2H])[2H])([2H])[2H])C(=O)C4=CC5CCC4C=C5)([2H])[2H])[2H]
InChI
InChI=1S/C23H27N5O3/c1-30-19-12-17-18(13-20(19)31-2)25-23(26-21(17)24)28-9-7-27(8-10-28)22(29)16-11-14-3-5-15(16)6-4-14/h3,5,11-15H,4,6-10H2,1-2H3,(H2,24,25,26)/i7D2,8D2,9D2,10D2
InChIKey
MXXRJJCMLRPJOF-UFBJYANTSA-N
Chemical Structure
2D Structure
2D structure of Prazobind-d8
CAS: 1189701-23-2
CID: 46782777
Formula: C23H27N5O3
MW: 429.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.5
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass429.26160371
Monoisotopic Mass429.26160371
Topological Polar Surface Area93.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity735
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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