CAS 54340-62-4|Bufuralol

Introduction：Basic information about CAS 54340-62-4|Bufuralol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Bufuralol BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	Bufuralol
CAS Number	54340-62-4	Molecular Weight	261.35900
Density	1.066g/cm3	Boiling Point	393.2ºC at 760 mmHg
Molecular Formula	C₁₆H₂₃NO₂	Melting Point	/
MSDS	/	Flash Point	191.6ºC

Names

Name	(+/-)-bufuralol
Synonym	More Synonyms

Bufuralol BiologicalActivity

Description	Bufuralol (Ro 3-4787) is a potent non-selective, orally active β-adrenoreceptor antagonist with partial agonist activity. Bufuralol hydrochloride is a CYP2D6 probe substrate[1][2][3][4].
Related Catalog	Research Areas >>Cardiovascular DiseaseResearch Areas >>EndocrinologySignaling Pathways >>GPCR/G Protein >>Adrenergic Receptor
Target	β-adrenoceptor
In Vitro	Bufuralol (Ro 3-4787) 广泛用于表征 CYP2D6 活性，并具有 CYP2D6 底物特有的芳香环和碱性氮[3]。
In Vivo	Bufuralol (Ro 3-4787) 代谢由 NADPH 介导表现出双相动力学，其效率低于在和猴子肠道中观察到的氢过氧化异丙苯 (CuOOH) 存在的情况，这与在肝脏中的观察结果一致[4]。
References	[1]. T H Pringle, et al. Pharmacodynamic and pharmacokinetic studies on bufuralol in man. Br J Clin Pharmacol. 1986 Nov;22(5):527-34. [2]. Jie Cai, et al. Effects of 22 Novel CYP2D6 Variants Found in the Chinese Population on the Bufuralol and Dextromethorphan Metabolisms In Vitro. Basic Clin Pharmacol Toxicol. 2016 Mar;118(3):190-9. [3]. Sarah M Glass, et al. CYP2D6 Allelic Variants 34, 17-2, 17-3, and 53 and a Thr309Ala Mutant Display Altered Kinetics and NADPH Coupling in Metabolism of Bufuralol and Dextromethorphan and Altered Susceptibility to Inactivation by SCH 66712. Drug Metab Dispos. 2018 Aug;46(8):1106-1117. [4]. T Prueksaritanont, et al. (+)-bufuralol 1'-hydroxylation activity in human and rhesus monkey intestine and liver. Biochem Pharmacol. 1995 Oct 26;50(9):1521-5.

Chemical & Physical Properties

Density	1.066g/cm3
Boiling Point	393.2ºC at 760 mmHg
Molecular Formula	C₁₆H₂₃NO₂
Molecular Weight	261.35900
Flash Point	191.6ºC
Exact Mass	261.17300
PSA	45.40000
LogP	3.80760
Index of Refraction	1.558
InChIKey	SSEBTPPFLLCUMN-UHFFFAOYSA-N
SMILES	CCc1cccc2cc(C(O)CNC(C)(C)C)oc12

Synonyms

bryostatin1,0

(26R)-Bryostatin 1

[3H]-Bryostatin 1

(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(Acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-Methoxy-2-oxoethylidene)-10,10,26,26-tetraMethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-y

(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(Acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl2,4-octadienoicacidester

BRYO 1

BRYOSTATIN

bryostatine-1

[3H]-Bufuralol

BRYOSTATIN 1

2,4-Octadienoic acid,(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-(1R)-1-hydroxyethyl-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo21.3.1.13,7.111,15nonacos-8-en

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