Shanghai Nianxing Industrial Co., Ltd
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Product Name: Bufuralol
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54340-62-4

54340-62-4 structure

54340-62-4 structure

Name: Bufuralol
Chemical Name: (+/-)-bufuralol
CAS Number: 54340-62-4
Molecular Formula: C₁₆H₂₃NO₂
Molecular Weight: 261.35900
Catalog: Signaling Pathways GPCR/G Protein Adrenergic Receptor
Create Date: 2018-04-02 08:00:00
Modify Date: 2024-01-11 16:51:41
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].

Name	(+/-)-bufuralol
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

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 Disease Research Areas >> Endocrinology Signaling 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.

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