UC168
(±)-Bufuralol hydrochloride
≥98% (HPLC), solid, β-Adrenoceptor agonist/antagonist
Synonym(s):
α-[(tert-Butylamino)methyl]-7-ethyl-2-benzofuranmethanol hydrochloride
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About This Item
Empirical Formula (Hill Notation):
C16H23NO2·HCl
CAS Number:
Molecular Weight:
297.82
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12161501
EC Number:
262-216-3
MDL number:
Product Name
(±)-Bufuralol hydrochloride,
form
solid
color
white to off-white
mp
143-146 °C
solubility
H2O: soluble
methanol: soluble
InChI key
KJBONRGCLLBWCJ-UHFFFAOYSA-N
InChI
1S/C16H23NO2.ClH/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4;/h6-9,13,17-18H,5,10H2,1-4H3;1H
SMILES string
Cl.CCc1cccc2cc(oc12)C(O)CNC(C)(C)C
storage temp.
2-8°C
Quality Level
Related Categories
Application
CYP2D6 substrate
Biochem/physiol Actions
β-Blocker. Varying β-adrenoceptor agonist/antagonist activity.
Bufuralol hydrochloride is known to be a non-specific β-receptor inhibitor that has an affinity for β 1 and β 2 receptors. Furthermore, studies have reported that bufuralol hydrochloride can decrease isoproterenol peripheral resistance.
Features and Benefits
This compound is a featured product for ADME Tox research. Click here to discover more featured ADME Tox products. Learn more about bioactive small molecules for other areas of research at sigma.com/discover-bsm.
Packaging
Bottomless glass bottle. Contents are inside inserted fused cone.
Preparation Note
(±)-Bufuralol hydrochloride is soluble in water and methanol.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Sami Haddad et al.
Journal of pharmaceutical sciences, 99(10), 4406-4426 (2010-03-24)
Drug-drug interactions (DDIs) are a great concern to the selection of new drug candidates. While in vitro screening assays for DDI are a routine procedure in preclinical research, their interpretation and relevance for the in vivo situation still represent a
D Magometschnigg et al.
International journal of clinical pharmacology and biopharmacy, 17(11), 429-432 (1979-11-01)
In this hemodynamic study a new beta-receptor blocker, Bufuralol-hydrochloride was compared with Pindolol under an Isoproterenol infusion with increasing doses in healthy male volunteers. We found the following results: 1. Before Isoproterenol peripheral resistance increased after acute i.v. application of
Jialin Mao et al.
Drug metabolism and disposition: the biological fate of chemicals, 40(4), 706-716 (2012-01-10)
Cryopreserved human hepatocytes suspended in human plasma (HHSHP) have previously provided accurate CYP3A drug-drug interaction (DDI) predictions from a single IC(50) that captures both reversible and time-dependent inhibition. The goal of this study was to compare the accuracy of DDI
Nina Nordman et al.
Journal of chromatography. A, 1218(5), 739-745 (2010-12-28)
Monolithically integrated, polymer (SU-8) microchips comprising an electrophoretic separation unit, a sheath flow interface, and an electrospray ionization (ESI) emitter were developed to improve the speed and throughput of metabolism research. Validation of the microchip method was performed using bufuralol
Alois Bonifacio et al.
Biochemical and biophysical research communications, 343(3), 772-779 (2006-03-28)
Cytochrome P450 2D6 (CYP2D6) is one of the most important drug-metabolizing enzymes in humans. Resonance Raman data, reported for the first time for CYP2D6, show that the CYP2D6 heme is found to be in a six-coordinated low-spin state in the
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