Ebelin lactone
Based on 1 Customer Validation
Ebelin lactone is an acetylcholinesterase (AChE) inhibitor, with a Ki of 0.45 μM against human M1 muscarinic acetylcholine receptor (mAChR) and a Ki of 4.21 μM against human 5-HT2A serotonin receptor. Ebelin lactone binds to the allosteric cavity above the orthosteric site of M1 via nonpolar interactions with subtype-selective residues. Ebelin lactone binds to the cavity between transmembrane helices 4 and 5 of 5-HT2A through nonpolar interactions with orthosteric site residues. Ebelin lactone exhibits free radical scavenging activity, inhibits cancer cell proliferation, and regulates memory and cognitive processes by interacting with M1 and 5-HT2A receptors. Ebelin lactone can be used in studies related to Alzheimer's disease, breast cancer and colorectal cancer.
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- Pureza : 96.0%
- No. CAS: 3649-76-1
- Fòrmula: C30H46O3
- Peso molecular:454.68
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Almacenamiento:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
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Actividad biológica
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Chemical Information
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Solvente y solubilidad
- Pureza y Documentación
- Referencias
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Help & FAQs
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Actividad biológica
Descripciòn
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Human 5-HT2A Receptor 4.21 μM (Ki) |
mAChR 0.45 μM (Ki) |
AChE |
In Vitro
Ebelin lactone (0.125 mg/mL; 2 hours) shows intestinal permeability in Caco-2 cells with an absorptive Papp of 121 × 10-6 cm/s and an efflux ratio of 0.647[1].
Ebelin lactone is non-toxic to HEK293T kidney epithelial cells (IC50 ~0.9 mg/mL) and HFF-1 skin fibroblast cells (IC50 ~0.862 mg/mL)[1].
Ebelin lactone exhibits strong estimated binding affinity to 5-HT1A, 5-HT2A, D1, D2, and M1 CNS receptors and human AChE via allosteric non-polar interactions, with the lowest binding energy (-11.71 kcal/mol) observed for the M1 receptor[3].
Ebelin lactone meets key CNS drug-like criteria and has very high predicted BBB penetration with moderate intestinal absorption[3].
Ebelin lactone (up to 30 μM) binds to human M1 (CHO cell-expressed) and 5-HT2A (CHO cell-expressed) receptors with Ki values of 0.45 μM and 4.21 μM, respectively, and does not bind to 5-HT1A, D1, or D2S receptors[3].
Ebelin lactone (up to 30 μM; 30 min pre-incubation) does not inhibit human recombinant AChE (HEK293 cell-expressed)[3].
Ebelin lactone inhibits proliferation of MDA-MB-468 breast cancer cells with an IC50 of 0.210 mg/mL and HCT116 colorectal cancer cells with an IC50 of 0.055 mg/mL[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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No. CAS 3649-76-1
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Appearance Solid
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Peso molecular 454.68
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Fòrmula C30H46O3
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Color White to off-white
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SMILES
C[C@]12[C@@]3(COC(C3)=O)[C@H](CC[C@]1([H])[C@@]4([C@@](C(C)([C@H](CC4)O)C)([H])CC2)C)/C=C(C)/C=C/C=C(C)/C
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Structure Classification
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Envío
Room temperature in continental US; may vary elsewhere.
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Almacenamiento
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Solvente y solubilidad
In Vitro:
DMSO : 10 mg/mL (21.99 mM; ultrasonic and warming and heat to 60°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Pureza y Documentación
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Ficha de datos (277 KB)
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SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
- Norwegian - NO (252 KB)
- Español - ES (252 KB)
- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Korean - KR (252 KB)
- Portuguese - PT (252 KB)
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Instrucciones de manejo (2659 KB)
Referencias
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 2.1993 mL | 10.9967 mL | 21.9935 mL | 54.9837 mL |
| 5 mM | 0.4399 mL | 2.1993 mL | 4.3987 mL | 10.9967 mL | |
| 10 mM | 0.2199 mL | 1.0997 mL | 2.1993 mL | 5.4984 mL | |
| 15 mM | 0.1466 mL | 0.7331 mL | 1.4662 mL | 3.6656 mL | |
| 20 mM | 0.1100 mL | 0.5498 mL | 1.0997 mL | 2.7492 mL |
Ebelin lactone Related Classifications
HY-N18343 Related Classifications
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Keywords
- Ebelin lactone
- 3649-76-1
- Drug Derivative
- Cholinesterase (ChE)
- mAChR
- 5-HT Receptor
- MDA-MB-468 breast cancer cells
- cyclooxygenase
- breast cancer
- human M1 muscarinic acetylcholine receptor
- colorectal cancer
- acetylcholinesterase
- human 5-HT2A serotonin receptor
- HCT116 colorectal cancer cells
- Alzheimer’s disease
- Caco-2 cells
- Inhibitor
- inhibitor
- inhibit