Cyrtominetin
Cyrtominetin is a RANKL inhibitor with favorable ADMET properties. Cyrtominetin competitively blocks the binding of RANKL-RANK and increases the compactness of RANKL. Cyrtominetin can be used in studies related to osteoporosis.
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- CAS 番号: 519-55-1
- 分子式: C17H16O6
- 分子量:316.31
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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
Cyrtominetin (100 ns) forms a complex with human RANKL that exhibits stable conformational dynamics over 100 ns of simulation, with an average backbone Cα-RMSD of 2.86 Å, increased compactness, stabilized active-site residues, and persistent hydrogen bonding interactions[1].
Cyrtominetin (60-80 ns) binds to human RANKL with a highly favorable total binding free energy of -50.205 kJ/mol, stabilized by a combination of electrostatic and van der Waals interactions with specific active-site residues[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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CAS 番号 519-55-1
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分子量 316.31
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分子式 C17H16O6
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SMILES
OC1=C2C(O[C@@H](CC2=O)C3=CC(O)=C(O)C=C3)=C(C)C(O)=C1C
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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)