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
Description
IC50 & Target
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hCA I 968.4 nM (Ki) |
hCA II 65.9 nM (Ki) |
In Vitro
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. Further protocols information, click here.
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.
Protocols
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Protocol for Pharmacokinetic Study
Pharmacokinetic studies quantify how an organism handles a drug over time through absorption, distribution, metabolism, and excretion, and the core experimental readout is the concentration-time profile of parent drug and, when relevant, metabolites in biological matrices such as plasma, whole blood, urine, bile, or tissue. Pharmacokinetic analysis links dose, route, exposure, clearance, half-life, distribution, bioavailability, and systemic exposure to drug efficacy and toxicity hypotheses rather than measuring a signaling pathway directly. The literature links pharmacokinetics to drug-development phenotypes by showing that drug metabolism and pharmacokinetics influence compound progression, exposure-response interpretation, safety margins, dosing strategy, and failure risk during discovery and development. DMPK science contributes to compound optimization by integrating physicochemical properties, in vitro metabolism, transporter behavior, in vivo exposure, and pharmacodynamic contex
Purity & Documentation
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)