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
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