Thesinine
Thesinine is a saturated pyrrolizidine alkaloid and the primary alkaloid found in the seeds and flowers of Borago officinalis. Thesinine binds to AKT1, MAPK3, MMP9, and MAPK14 proteins as predicted by in silico analysis. Thesinine is applicable to research related to skin aging
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。
- CAS 番号: 488-02-8
- 分子式: C17H21NO3
- 分子量:287.35
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保管条件:
Please store the product under the recommended conditions in the Certificate of Analysis.
生物活性
製品説明
IC50 & Target
[1]|
Akt1 |
MMP9 |
MAPK3 |
MAPK14 |
体外実験
Thesinine forms energetically favorable interactions with human AKT1 (allosteric site), MAPK3, MMP9, and MAPK14 proteins, among which it exhibits the highest binding affinity for AKT1 (allosteric site)[1].
Thesinine forms stable and persistent interactions with human AKT1 (allosteric site) and MMP9 proteins during 100 ns molecular dynamics simulations, but its binding stability with human MAPK14 is reduced[1].
Thesinine is the sole alkaloid in the flowers of borage (Borago officinalis) and also the major alkaloid in mature seeds[2].
Thesinine is the only detected alkaloid in a batch of immature seeds, while it is not detected in any of the three seed oil samples[2].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only. .
化学情報
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CAS 番号 488-02-8
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分子量 287.35
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分子式 C17H21NO3
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SMILES
OC(C=C1)=CC=C1/C=C/C(OC[C@H]2[C@]3([H])N(CCC3)CC2)=O
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Structure Classification
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Initial Source
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輸送条件
Room temperature in continental US; may vary elsewhere.
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保管条件
Please store the product under the recommended conditions in the Certificate of Analysis.
純度とドキュメンテーション
参考文献
Calculators
濃度 (開始) × 体積 (開始) = 濃度 (終了) × 体積 (終了)