Bufuralol hydrochloride , CAS No.60398-91-6

CAS: 60398-91-6 Cat. No.: B650281 Formula: C16H24ClNO2 Peso molecolare: 297.82 Numero EC: 262-216-3
Disponibile su ordine
Synonyms
RO-3-4787 HYDROCHLORIDE | AKOS040744905 | CCRIS 1056 | 59652-29-8 (HCl) | Bufuralol (hydrochloride) | Ro34787 | Ro-34787 | Ro-3-4787 | Ro3-4787 | Ethanol, 2-tert-butylamino-1-(7-ethyl-2-benzofuranyl)-, hydrochloride | Ro 3-4787 hydrochloride | Angium, alp
Storage
Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
★
Size
Germania (EU)
USA*
Price
Qty
1mg
B650281-1mg
Su ordinazione · 8–12 settimane
373,91€
5mg
B650281-5mg
Su ordinazione · 8–12 settimane
747,04€
10mg
B650281-10mg
Su ordinazione · 8–12 settimane
1.198,26€
Enter a quantity for the sizes you want to add.
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C,Desiccated Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Panoramica

Bufuralol (Ro 3-4787) hydrochloride is a potent non-selective, orally active β-adrenoreceptor antagonist with partial agonist activity. Bufuralol hydrochloride is a CYP2D6 probe substrate

In Vitro

Bufuralol (Ro 3-4787) hydrochloride is widely used in the characterization of CYP2D6 activity, and possesses aromatic rings and a basic nitrogen that are characteristic of CYP2D6 substrates. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Bufuralol (Ro 3-4787) hydrochloride metabolism mediated by NADPH exhibits biphasic kinetics and is less efficient than that observed in the presence of cumene hydroperoxide (CuOOH) in and monkey intestines, in agreement with the observations in the livers. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:β adrenergic receptor

Specifications

Sinonimi
RO-3-4787 HYDROCHLORIDE | AKOS040744905 | CCRIS 1056 | 59652-29-8 (HCl) | Bufuralol (hydrochloride) | Ro34787 | Ro-34787 | Ro-3-4787 | Ro3-4787 | Ethanol, 2-tert-butylamino-1-(7-ethyl-2-benzofuranyl)-, hydrochloride | Ro 3-4787 hydrochloride | Angium, alp
Meccanismi biochimici e fisiologici
Bufuralol (Ro 3-4787) hydrochloride is a potent non-selective, orally active β-adrenoreceptor antagonist with partial agonist activity. Bufuralol hydrochloride is a CYP2D6 probe substrate.
Condizioni di conservazione di stoccaggio
Store at -20°C,Desiccated
Spedito in
Ice chest + Ice pads
Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.
Tipo di azione
ANTAGONIST
Nomi e identificatori
Sorrisi canonici
CCC1=CC=CC2=C1OC(=C2)C(CNC(C)(C)C)O.Cl
IUPAC Name
2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol;hydrochloride
InChIKey
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
Isomeri SMILES
CCC1=CC=CC2=C1OC(=C2)C(CNC(C)(C)C)O.Cl
Peso molecolare
297.82
Reaxy-Rn
4848330
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4848330&ln=

Documentazione

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasseBenzofurans
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzofurans
Alternative Parents Aralkylamines  Benzenoids  Heteroaromatic compounds  Furans  Secondary alcohols  1,2-aminoalcohols  Oxacyclic compounds  Dialkylamines  Organopnictogen compounds  Hydrochlorides  Hydrocarbon derivatives  Aromatic alcohols  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzofuran - Aralkylamine - Benzenoid - Heteroaromatic compound - Furan - Secondary alcohol - 1,2-aminoalcohol - Oxacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
External Descriptors Not available
Struttura 3D
Modello di struttura chimica interattiva





Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
SolubilitàEthanol : 15 mg/mL (50.37 mM; Need ultrasonic and warming) DMSO : 10 mg/mL (33.58 mM; Need ultrasonic and warming)
Punto di fusione (°C)143-146° C
Peso molecolare297.820 g/mol
XLogP3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass297.15 Da
Monoisotopic Mass297.15 Da
Topological Polar Surface Area45.400 Ų
Heavy Atom Count20
Formal Charge0
Complexity287.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
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Calcolatori di soluzioni
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