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

Key Properties

• 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

• 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.
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Storage & Handling

• Storage: -20°C
• Expiration Date: 12 months from date of receipt.
• Disclaimer: For research use only

Alternative Names

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

Compound Identifiers

PubChem CID

23615629