Galectin-8N-IN-1 (compound 19a) is a potent and specific galectin-8N inhibitor (antagonist) with a Kd of 1.8 μM. Galectin-8N-IN-1 is a galectin-8N ligand. Galectin-8N-IN-1 can be used for research on the immune system.

Physicochemical Properties

Molecular Formula	C22H22CL2N2O7S
Molecular Weight	529.39
Exact Mass	528.052
CAS #	2667628-25-1
PubChem CID	164610940
Appearance	White to off-white solid powder
LogP	2.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Heavy Atom Count	34
Complexity	712
Defined Atom Stereocenter Count	5
SMILES	CN1C(=NC2=CC=C(C=C21)C(=O)O)CO[C@H]1[C@H]([C@H](O[C@@H]([C@@H]1O)SC1C=CC(=C(C=1)Cl)Cl)CO)O
InChi Key	FKJDXCHMRVVEIN-DIINWTLSSA-N
InChi Code	InChI=1S/C22H22Cl2N2O7S/c1-26-15-6-10(21(30)31)2-5-14(15)25-17(26)9-32-20-18(28)16(8-27)33-22(19(20)29)34-11-3-4-12(23)13(24)7-11/h2-7,16,18-20,22,27-29H,8-9H2,1H3,(H,30,31)/t16-,18+,19-,20+,22-/m1/s1
Chemical Name	2-[[(2R,3R,4S,5S,6R)-2-(3,4-dichlorophenyl)sulfanyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxymethyl]-3-methylbenzimidazole-5-carboxylic acid
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
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

Targets	Galectin-8
References	[1]. Benzimidazole-galactosides bind selectively to the Galectin-8 N-Terminal domain: Structure-based design and optimisation. Eur J Med Chem. 2021 Nov 5;223:113664.

Solubility Data

Solubility (In Vitro)	DMSO: ≥ 50 mg/mL (94.45 mM)
Solubility (In Vivo)	Solubility in Formulation 1: 1 mg/mL (1.89 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.8890 mL	9.4448 mL	18.8897 mL
	5 mM	0.3778 mL	1.8890 mL	3.7779 mL
	10 mM	0.1889 mL	0.9445 mL	1.8890 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.