Cephaeline dihydrochloride

SKU: orb1679052

Description

Cephaeline dihydrochloride is a natural alkaloid that acts as a selective CYP2D6 inhibitor (IC50=121 µM) and a 5-HT4 receptor ligand with oral activity. It is used in pharmacological research for studying enzyme inhibition, serotonin receptor function, and emetic mechanisms in both in vitro and in vivo experimental models.

Research Area

Metabolism Research, Neuroscience, Pharmacology & Drug Discovery

Images & Validation

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Key Properties

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CAS Number	5853-29-2
MW	539.53
Purity	99.67% (May vary between batches)
Formula	C₂₈H₄₀Cl₂N₂O₄
SMILES	COC(C=C(CCN1C[C@@H]2CC)C([C@]1([H])C[C@@H]2C[C@@H]3C4=CC(OC)=C(O)C=C4CCN3)=C5)=C5OC.Cl.Cl
Target	Cytochromes P450,5-HT Receptor
Solubility	DMSO:200 mg/mL (370.69 mM);H2O:100 mg/mL (185.35 mM)

Bioactivity

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Target IC50	CYP2D6:121 μM\|CYP3A4:1000 μM
In Vitro	In human liver microsome assays, Cephaeline dihydrochloride demonstrated weak inhibition of major cytochrome P450 (CYP) enzymes. Specifically, Cephaeline dihydrochloride inhibited CYP2D6 with an IC₅₀ of 121 μM and a Ki of 54 μM via competitive inhibition, and CYP3A4 with an IC₅₀ of 1000 μM and a Ki of 355 μM via non-competitive inhibition. Read more...

Storage & Handling

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Storage	keep away from moisture,keep away from direct sunlight \| Powder: -20°C for 3 years \| In solvent: -80°C for 1 year \| Shipping with blue ice/Shipping at ambient temperature.
Expiration Date	12 months from date of receipt.
Disclaimer	For research use only

Alternative Names

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NSC 32944, NSC32944, NSC-32944, (-)-Cephaeline dihydrochloride, CYP2D6, Cephaeline dihydrochloride, Cephaeline, Cephaeline Dihydrochloride

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Compound Identifiers

PubChem CID

23615629 ↗

Key Properties

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No computed properties available.

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