1. Metabolic Enzyme/Protease
  2. Carbonic Anhydrase
  3. CAII/lX-IN-1

CAII/lX-IN-1 (compound 14 (21,301,644)) is an inhibitor belonging to the N-acyl sulfonamides class, which selectively targets Carbonic Anhydrase IX and II. The IC50 values of CAII/lX-IN-1 against hCA-IX and hCA-II are 1.2 μM and 6.7 μM, respectively, with corresponding Ki values of 0.9 and 4.8.

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CAII/lX-IN-1

CAII/lX-IN-1 Chemical Structure

CAS No. : 2955799-99-0

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Description

CAII/lX-IN-1 (compound 14 (21,301,644)) is an inhibitor belonging to the N-acyl sulfonamides class, which selectively targets Carbonic Anhydrase IX and II. The IC50 values of CAII/lX-IN-1 against hCA-IX and hCA-II are 1.2 μM and 6.7 μM, respectively, with corresponding Ki values of 0.9 and 4.8[1].

IC50 & Target

hCA I

1.2 μM (IC50)

hCA II

6.7 μM (IC50)

hCA I

0.9 μM (Ki)

hCA II

4.8 μM (Ki)

In Vitro

CAII/lX-IN-1 (5 ns, molecular dynamics simulations) bind to hCA-IX and hCA-II via sulfonamide coordination to the active site zinc ion, with binding interactions consistent with experimental inhibitory potency and selectivity[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Parmacokinetics
Species Dose Route T1/2 Cmax AUC0-∞ Bioavailability Tmax
Rat[1] 3 mg/kg i.v. 2.27 ± 1.99 h 16593 ± 3364 ng/mL 5085 ± 1304 ng·h/mL 82.30 % /
Rat[1] 30 mg/kg p.o. 5.05 ± 2.99 h 26104 ± 13526 ng/mL 42193 ± 13110 ng·h/mL 82.30 % 0.50 h
Molecular Weight

492.58

Formula

C19H24N8O4S2

CAS No.
SMILES

CN(C)C1=NOC(CCNC(S2)=NC=C2S(NC(C3=CC=NC(N4CCCC4)=C3)=O)(=O)=O)=N1

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Room temperature in continental US; may vary elsewhere.

Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Purity & Documentation
References
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Product Name:
CAII/lX-IN-1
Cat. No.:
HY-181689
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