MTHFD2-IN-4
MTHFD2-IN-4 is a selective MTHFD2 inhibitor. MTHFD2-IN-4 binds to the substrate-binding site of MTHFD2, interacts with Arg43, Tyr84, Asn87, Lys88, Gln132 and Gly310, and does not interact with the key selective residues of MTHFD1. MTHFD2-IN-4 exerts its function through selective inhibition of MTHFD2 in cancer cells. MTHFD2-IN-4 can be used in cancer-related research.
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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。
- 分子式: C26H21F6N2O5-
- 分子量:555.45
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保管条件:
Please store the product under the recommended conditions in the Certificate of Analysis.
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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生物活性
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化学情報
- 純度とドキュメンテーション
- 参考文献
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Help & FAQs
生物活性
MTHFD2-IN-4 (compound 11) binds stably to the substrate binding site of MTHFD2, forming key interactions with selectivity-related residues, with a Glide docking score of -8.8 kcal/mol and an MM-GBSA binding free energy of -75.57 kcal/mol[1].
MTHFD2-IN-4 binds poorly to the substrate binding site of MTHFD1, showing high ligand instability and lacking key interactions with critical residues, indicating selective binding to MTHFD2[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
化学情報
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分子量 555.45
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分子式 C26H21F6N2O5-
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SMILES
O=C1OC2=C(C3=C1CN(CC3)C(C4=CC=C(C=C4)C([O-])(C(F)(F)F)C(F)(F)F)=O)C=CC(C5CNCCO5)=C2
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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)
MTHFD2-IN-4 関連分類
HY-149828 関連分類
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