Atogepant
Based on 1 Customer Validation
Atogepant (MK-8031) is an orally active and selective calcitonin gene-related peptide receptor (CGRP) antagonist. Atogepant can be used for researching migraine.
For research use only. We do not sell to patients.
- Purity: 99.93%
- CAS No.: 1374248-81-3
- Formula: C29H23F6N5O3
- Molecular Weight:603.52
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Storage:Powder -20°C, 3 years ; In solvent -80°C, 6 months , -20°C, 1 month
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
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GPCR/G Protein Compound Library
HY-L006
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Neuronal Signaling Compound Library
HY-L013
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FDA-Approved Drug Library
HY-L022
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Drug Repurposing Compound Library
HY-L035
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Orally Active Compound Library
HY-L061
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FDA Approved & Pharmacopeial Drug Library
HY-L066
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Drug-Induced Liver Injury (DILI) Compound Library
HY-L076
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Heterocyclic Compound Library
HY-L138
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Membrane Protein-targeted Compound Library
HY-L149
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Membrane Receptor-targeted Compound Library
HY-L150
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Highly Selective Inhibitors Library
HY-L158
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Bioactive Compound Library Max
HY-L181
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MCE Bioactive Compound Library
HY-L001V
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Drug Repurposing Compound Library Plus
HY-L035P
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FDA-Approved Drug Library Plus
HY-L022P
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FDA-Approved Drug Library Mini
HY-L022M
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Bioactive Compound Library
HY-L001
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High-Throughput Bioactive Compound Library
HY-L205
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Lactylation Compound Library
HY-L249
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Classic FDA-Approved Drug Library
HY-L261
Biological Activity
CGRP[1]
Binding affinities (Ki, nM)a of atogepant for human and non-human CGRP receptors[2]
| Species | Human (cloned) | Human (native) | Rhesus | Rat | Mouse | Rabbit | Dog |
| K i (nM) | 0.015 | 0.026 | 0.009 | 0.7 | 0.13 | 2.1 | 1.2 |
Functional potency of atogepant for human cloned CGRP and related receptors[2]
| Receptor | CGRP | AM1 | AM2 | CRT | AMY1 | AMY3 |
| IC50 (nM) | 0.026 | >18000 | 400 | 6274 | 2.4 | 1418 |
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Atogepant concentrations and concentration ratios in plasma, cerebrospinal fluid and brain tissue (Sprague-Dawley rats)[2]
| Parameter | Plasma Cmax (ng/mL) | CSF Cmax (ng/mL) | Brain Cmax (ng/g) | CSF/plasma Cmax ratios (ng/ml) | Brain/plasma Cmax ratios (ng/ml) | Brain/CSF Cmax ratios (ng/ml) | Plasma AUC0-last (ng h/ml) | CSF AUC0-last (ng h/ml) | Brain AUC0-last (ng h/g) | CSF/plasma AUC0-last ratios (ng h/ml) | Brain/plasma AUC0-last ratios (ng h/ml) | Brain/CSF AUC0-last ratios (ng h/ml) |
| Atogepant 5 mg/kg | 180.7 | 0.9 | 2.4 | 0.005 | 0.0133 | 2.6667 | 1110.9 | 4.2 | 17.9 | 0.0038 | 0.0161 | 4.2619 |
| Atogepant 20 mg/kg | 853.7 | 3.7 | 17.3 | 0.0043 | 0.0203 | 4.6757 | 6511.7 | 20.0 | 102.3 | 0.0031 | 0.0157 | 5.1150 |
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
| NCT Number | Sponsor | Condition | Start Date |
Phase
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|---|---|---|---|---|
| NCT01329991 | Plexxikon| | 2011-05 | PHASE1 |
Chemical Information
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CAS No. 1374248-81-3
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Appearance Solid
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Molecular Weight 603.52
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Formula C29H23F6N5O3
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Color White to off-white
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SMILES
O=C1[C@]2(CC3=CC(C(N[C@H]4C[C@](C5=C(C(F)=CC=C5F)F)([H])[C@H](N(C4=O)CC(F)(F)F)C)=O)=CN=C3C2)C6=CC=CN=C6N1
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Synonyms
MK-8031; AGN-241689
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Powder -20°C 3 years In solvent -80°C 6 months -20°C 1 month
Solvent & Solubility
DMSO : 100 mg/mL (165.69 mM; Need ultrasonic; 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)
Purity & Documentation
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Data Sheet (280 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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Handling Instructions (2659 KB)
References
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 | 1.6569 mL | 8.2847 mL | 16.5695 mL | 41.4236 mL |
| 5 mM | 0.3314 mL | 1.6569 mL | 3.3139 mL | 8.2847 mL | |
| 10 mM | 0.1657 mL | 0.8285 mL | 1.6569 mL | 4.1424 mL | |
| 15 mM | 0.1105 mL | 0.5523 mL | 1.1046 mL | 2.7616 mL | |
| 20 mM | 0.0828 mL | 0.4142 mL | 0.8285 mL | 2.0712 mL | |
| 25 mM | 0.0663 mL | 0.3314 mL | 0.6628 mL | 1.6569 mL | |
| 30 mM | 0.0552 mL | 0.2762 mL | 0.5523 mL | 1.3808 mL | |
| 40 mM | 0.0414 mL | 0.2071 mL | 0.4142 mL | 1.0356 mL | |
| 50 mM | 0.0331 mL | 0.1657 mL | 0.3314 mL | 0.8285 mL | |
| 60 mM | 0.0276 mL | 0.1381 mL | 0.2762 mL | 0.6904 mL | |
| 80 mM | 0.0207 mL | 0.1036 mL | 0.2071 mL | 0.5178 mL | |
| 100 mM | 0.0166 mL | 0.0828 mL | 0.1657 mL | 0.4142 mL |
Atogepant Related Classifications
HY-109022 Related Classifications
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