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.
商品は「研究用試薬」です。人や動物の医療用・臨床診断用・食品用の製品ではありません。
研究用途以外に使用した場合、当社は一切の責任を負いかねます。
- 純度: 99.93%
- CAS 番号: 1374248-81-3
- 分子式: C29H23F6N5O3
- 分子量:603.52
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保管条件:Powder -20°C, 3 years ; In solvent -80°C, 6 months , -20°C, 1 month
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生物活性
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化学情報
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溶剤 & 溶解度
- 純度とドキュメンテーション
- 参考文献
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Help & FAQs
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生物活性
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
|
|---|---|---|---|---|
| NCT01329991 | Plexxikon| | 2011-05 | PHASE1 |
化学情報
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CAS 番号 1374248-81-3
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性状 Solid
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分子量 603.52
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分子式 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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別名
MK-8031; AGN-241689
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輸送条件
Room temperature in continental US; may vary elsewhere.
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保管条件
Powder -20°C 3 years In solvent -80°C 6 months -20°C 1 month
溶剤 & 溶解度
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.
濃度 (開始) × 体積 (開始) = 濃度 (終了) × 体積 (終了)
純度とドキュメンテーション
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データシート (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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取扱説明書 (2659 KB)
参考文献
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 |
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