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 No.: 519-55-1
- 화학식: C17H16O6
- 분자량:316.31
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보관:
Please store the product under the recommended conditions in the Certificate of Analysis.
Biological Activity
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.
Chemical Information
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CAS No. 519-55-1
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분자량 316.31
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화학식 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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선적
Room temperature in continental US; may vary elsewhere.
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보관
Please store the product under the recommended conditions in the Certificate of Analysis.
순도&문서
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)