CAII-IN-13
CAII-IN-13 is a human carbonic anhydrase inhibitor, with a Ki of 65.9 nM against human carbonic anhydrase II and a Ki of 968.4 nM against human carbonic anhydrase I. CAII-IN-13 functionally inhibits the catalytic activities of human carbonic anhydrase II and human carbonic anhydrase I. CAII-IN-13 satisfies the Lipinski's rule of five and may possess physicochemical properties and pharmacokinetic profiles associated with in vivo bioavailability.
For research use only. We do not sell to patients.
- Formula: C24H21ClN4O2S
- Molecular Weight:464.97
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Storage:
Please store the product under the recommended conditions in the Certificate of Analysis.
Biological Activity
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hCA I 968.4 nM (Ki) |
hCA II 65.9 nM (Ki) |
CAII-IN-13 (compound 3D) exhibits favorable predicted pharmacokinetic properties, including high gastrointestinal absorption, a bioavailability score of 0.55, no blood-brain barrier permeability, and only one deviation from the Lipinski's five rules[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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Molecular Weight 464.97
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Formula C24H21ClN4O2S
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SMILES
O=S(C1=CC=C(CC/N=C/C2=CN(C3=CC=CC=C3)N=C2C4=CC=C(Cl)C=C4)C=C1)(N)=O
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Please store the product under the recommended conditions in the Certificate of Analysis.
Purity & Documentation
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)