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Bisoprolol-d7

CAT: 0804-HY-W707407-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W707407-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Bisoprolol-d7 is deuterium labeled Bisoprolol. Bisoprolol is a potent, selective and orally active β1-adrenergic receptor blocker with little activity on β2-receptor. Bisoprolol has the potential for hypertension, coronary artery disease and stable ventricular dysfunction research[1][2].
CAS Number
1310012-16-8
UNSPSC
12352005
Target
Adrenergic Receptor; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
GPCR/G Protein; Neuronal Signaling; Others
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Inflammation/Immunology; Cardiovascular Disease
Smiles
CC(OCCOCC1=CC=C(C=C1)OCC(CNC(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H])O)C
Molecular Formula
C18H24D7NO4
Molecular Weight
332.49
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.|[2] Jillian G Baker, et al. The selectivity of beta-adrenoceptor antagonists at the human beta1, beta2 and beta3 adrenoceptors. Br J Pharmacol. 2005 Feb;144 (3) :317-22.|[3]Jing Wang, et al. Bisoprolol, a β 1 antagonist, protects myocardial cells from ischemia-reperfusion injury via PI3K/AKT/GSK3β pathway. Fundam Clin Pharmacol. 2020 Dec;34 (6) :708-720. |[4]Hong Yang, et al. Bisoprolol reverses epinephrine-mediated inhibition of cell emigration through increases in the expression of β-arrestin 2 and CCR7 and PI3K phosphorylation, in dendritic cells loaded with cholesterol. Thromb Res. 2013 Mar;131 (3) :230-7. |[5]Jinhua Liu, et al. Protective Effects of Bisoprolol Against Cadmium-induced Myocardial Toxicity Through Inhibition of Oxidative Stress and NF-κΒ Signalling in Rats. J Vet Res. 2021 Oct 20;65 (4) :505-511. |[6]Yajuan Ni, et al. Bisoprolol reversed small conductance calcium-activated potassium channel (SK) remodeling in a volume-overload rat model. Mol Cell Biochem. 2013 Dec;384 (1-2) :95-103.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Bisoprolol-d7 Hemifumarate
CAS Number1310012-16-8
PubChem CID45038377
IUPAC Name1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol
Molecular FormulaC18H31NO4
Molecular Weight332.5
XLogP1.9
Topological Polar Surface Area60
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count23
Formal Charge0
Complexity278
SMILES
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COC1=CC=C(C=C1)COCCOC(C)C)O
InChI
InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3/i1D3,2D3,14D
InChIKey
VHYCDWMUTMEGQY-HSNISVEUSA-N
Chemical Structure
2D Structure
2D structure of Bisoprolol-d7 Hemifumarate
CAS: 1310012-16-8
CID: 45038377
Formula: C18H31NO4
MW: 332.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.5
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass332.26924569
Monoisotopic Mass332.26924569
Topological Polar Surface Area60 Ų
Heavy Atom Count23
Formal Charge0
Complexity278
Isotope Atom Count7
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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Alternative Products

CatalogName
CS-T-96152Bisoprolol-d7 Hemifumarate
sc-499505Des (isopropoxyethyl) Bisoprolol-d7
TRC-D290127-25MGDes(isopropoxyethyl) Bisoprolol-d7
WDC60013-01O-Desisopropyl-o-ethyl bisoprolol-d7 hemifumarate
sc-500339O-Desisopropyl-O-methyl Bisoprolol-d7 Hemifumarate
TRC-D290132-25MGrac Des(isopropoxyethyl)-2-isopropoxyethoxymethyl Bisoprolol-d7
MBS387804-01Bisoprolol
AR-B01746-01Bisoprolol Impurity E (Dehydroxy Bisoprolol)
RM-B191601-01Bisoprolol EP Impurity A; Bisoprolol USP Rc A
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