| Field | Specification |
|---|---|
| Alternative names | MK-8031; AGN-241689 |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C29H23F6N5O3 |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
Atogepant, also known as MK-8031 or AGN-241689, is an orally active, selective calcitonin gene-related peptide receptor (CGRP) antagonist that can be used for migraine research[1][2]. The manufacturer also lists it under the GPCR/G Protein and Neuronal Signaling pathway categories. It is supplied as a white to off-white solid (C29H23F6N5O3, MW 603.52) at 99.93% purity.
Physical & Chemical Properties
| CAS Number | 1374248-81-3 |
|---|---|
| Molecular Formula | C29H23F6N5O3 |
| Molecular Weight | 603.52 g/mol |
| Purity | 99.93% |
| Appearance | Solid |
| Color | White to off-white |
| 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 |
| Signaling Pathway | GPCR/G Protein; Neuronal Signaling |
| Solubility | In Vitro: DMSO: 100 mg/mL (165.69 mM; Requires sonication; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | Powder: -20°C, 3 years. In solvent: -80°C, 6 months; -20°C, 1 month. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
[2]. Moore E, et al. Pharmacologic characterization of atogepant: A potent and selective calcitonin gene–related peptide receptor antagonist. Cephalalgia. 2024;44(1)
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMSO | 100 mg/mL (165.69 mM) | requires sonication; use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 6 months) or -20°C (up to 1 month); avoid repeated freeze-thaw cycles.
Data provided by the manufacturer.
In Vitro
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 |
Atogepant functional potency at human cloned CGRP and related receptors[2]
| Receptor | CGRP | AM1 | AM2 | CRT | AMY1 | AMY3 |
| IC50 (nM) | 0.026 | >18000 | 400 | 6274 | 2.4 | 1418 |
In Vivo
Improvement is seen with Atogepant (Oral gavage (p.o.); 3, 10, 30 mg/kg; Once a day; 9 days) in nitroglycerin-induced abnormal facial pain in rats and in capsaicin-induced dermal vasodilation in primates[2].
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 |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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