Introduction：Basic information about CAS 1394-48-5|Guanfu base A, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Guanfu base A |
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| CAS Number | 1394-48-5 | Molecular Weight | 429.506 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 551.4±50.0 °C at 760 mmHg |
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| Molecular Formula | C24H31NO6 | Melting Point | / |
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| MSDS | / | Flash Point | 287.3±30.1 °C |
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Names
| Name | Guan-fu base A |
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| Synonym | More Synonyms |
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Guanfu base A BiologicalActivity
| Description | Guanfu base A is an antiarrhythmic alkaloid isolated from Aconitum coreanum and is a potent noncompetitive CYP2D6 inhibitor, with a Ki of 1.20 μM in human liver microsomes (HLMs) and a Ki of 0.37 μM for the human recombinant form (rCYP2D6). Guanfu base A is also a potent competitive inhibitor of CYP2D in monkey (Ki of 0.38 μM) and dog (Ki of 2.4 μM) microsomes[1]. Guanfu base A also inhibits HERG channel current[2]. |
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| Target | CYP2D6[1]; HERG channel[2] |
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| In Vitro | Guanfu base A has no inhibitory activity on mouse or rat CYP2Ds. Guanfu base A does not exhibit any inhibition activity on human recombinant CYP1A2, 2A6, 2C8, 2C19, 3A4, or 3A5, but shows slight inhibition of 2B6 and 2E1[1]. Guanfu base A is a potent inhibitor of CYP2D6, with an IC50 recorded at ~0.46 μM in HLM (Dextromethorphan 5 μM) and 0.12 μM in rCYP2D6 (Bufuralol 5 μM)[1]. The effects of Guanfu base A is investigated in human embryonic kidney 293 (HEK293) cells transiently transfected with HERG complementary DNA using a whole-cell patch clamp technique. Guanfu base A inhibits HERG channel current in concentration-, voltage-, and time-dependent manners with an IC50 of 1.64 mM. Guanfu base A shifts the activation curve in a negative direction and accelerated channel inactivation but shows no effect on the inactivation curve[2]. |
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| In Vivo | Beagle dogs treated intravenously with Dextromethorphan (2 mg/mL) after pretreatment with Guanfu base A injection shows reduced CYP2D metabolic activity, with the Cmax of dextrorphan being one-third that of the saline-treated group and area under the plasma concentration-time curve half that of the saline-treated group[1]. |
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| References | [1]. Sun J, et al. Guanfu base A, an antiarrhythmic alkaloid of Aconitum coreanum, Is a CYP2D6 inhibitor of human, monkey, and dog isoforms. Drug Metab Dispos. 2015 May;43(5):713-24. [2]. Huang X, et al. Comparative effects of Guanfu base A and Guanfu base G on HERG K+ channel. J Cardiovasc Pharmacol. 2012 Jan;59(1):77-83. |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 551.4±50.0 °C at 760 mmHg |
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| Molecular Formula | C24H31NO6 |
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| Molecular Weight | 429.506 |
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| Flash Point | 287.3±30.1 °C |
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| Exact Mass | 429.215149 |
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| PSA | 96.30000 |
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| LogP | 0.93 |
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| Vapour Pressure | 0.0±3.4 mmHg at 25°C |
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| Index of Refraction | 1.648 |
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| InChIKey | OGNUSOJAYIHLNS-UHFFFAOYSA-N |
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| SMILES | C=C1CC23CC4C5C6(C)CC(OC(C)=O)CC57C2C(O)C1C(OC(C)=O)C3(O)C7N4C6 |
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Synonyms
| Hetisan-2,11,13,14-tetrol, 2,11-diacetate, (2α,11α,13R)- |
| (2α,11α,13R)-13,14-Dihydroxyhetisan-2,11-diyl diacetate |
| (2α,9ξ,11α,20ξ)-11,14-Dihydroxyhetisan-2,13-diyl diacetate |
| Kwan-Fu Base A |
| Hetisan-2,11,13,14-tetrol, 2,13-diacetate, (2α,9ξ,11α,20ξ)- |
