hCAII-IN-8 is an amide and a selective carbonic anhydrase (CA) inhibitor (antagonist) with IC50 of 0.18 μM for hCA II.

Physicochemical Properties

Molecular Formula	C15H16N2O5S
Molecular Weight	336.36
Exact Mass	336.08
Elemental Analysis	C, 53.56; H, 4.79; N, 8.33; O, 23.78; S, 9.53
CAS #	952306-80-8
PubChem CID	24855629
Appearance	White to off-white solid powder
LogP	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	23
Complexity	505
Defined Atom Stereocenter Count	0
SMILES	C(C1C=CC(OC)=C(OC)C=1)(=O)NC1C=CC=C(S(=O)(=O)N)C=1
InChi Key	NXXHQVMWOQRKGC-UHFFFAOYSA-N
InChi Code	InChI=1S/C15H16N2O5S/c1-21-13-7-6-10(8-14(13)22-2)15(18)17-11-4-3-5-12(9-11)23(16,19)20/h3-9H,1-2H3,(H,17,18)(H2,16,19,20)
Chemical Name	3,4-dimethoxy-N-(3-sulfamoylphenyl)benzamide
Synonyms	HCAII-IN-8; SCHEMBL14372338; CS-0635180
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	hCAII-IN-8 (Compound 9) at 100 μM for 24 to 48 hours does not cause any harm to HEK-293 T cells, and when compared to the control, the cell viability is more than 90% [1].
References	[1]. Synthesis and Evaluation of Amide and Thiourea Derivatives as Carbonic Anhydrase (CA) Inhibitors. ACS Omega. 2022 Dec 6;7(50):47251-47264.

Solubility Data

Solubility (In Vitro)

DMSO : ~125 mg/mL (~371.63 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (6.18 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (6.18 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.9730 mL	14.8650 mL	29.7301 mL
	5 mM	0.5946 mL	2.9730 mL	5.9460 mL
	10 mM	0.2973 mL	1.4865 mL	2.9730 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.