Galectin-3 antagonist 1 (compound 15) is a potent and specific Galectin-3 (Gal-3) antagonist (inhibitor) with a Kd of 5.3 μM. At the same time, Galectin-3 antagonist 1 binds to multiple galectins with Kds of 250 μM (GAl-4N), 18 μM (Gal-4C), and 450 μM (Gal-8C).

Physicochemical Properties

Molecular Formula	C22H22CLNO10
Molecular Weight	495.863786220551
Exact Mass	495.093
CAS #	2921603-03-2
PubChem CID	164513432
Appearance	White to off-white solid powder
LogP	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	8
Heavy Atom Count	34
Complexity	725
Defined Atom Stereocenter Count	5
SMILES	CC1=CC=C(C=C1)C(=O)O[C@H]2[C@H]([C@H](O[C@H]([C@H]2OC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC)CO)O
InChi Key	FSBFERQGFVBNEJ-NOYKIMNZSA-N
InChi Code	InChI=1S/C22H22ClNO10/c1-11-3-5-12(6-4-11)20(27)33-18-17(26)16(10-25)32-22(31-2)19(18)34-21(28)14-8-7-13(23)9-15(14)24(29)30/h3-9,16-19,22,25-26H,10H2,1-2H3/t16-,17+,18+,19+,22-/m1/s1
Chemical Name	[(2R,3S,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-(4-methylbenzoyl)oxyoxan-3-yl] 4-chloro-2-nitrobenzoate
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-3
References	[1]. Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia. J Med Chem. 2022 Apr 28;65(8):5975-5989.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (201.67 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.04 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 25.0 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: ≥ 2.5 mg/mL (5.04 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 25.0 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	2.0167 mL	10.0835 mL	20.1670 mL
	5 mM	0.4033 mL	2.0167 mL	4.0334 mL
	10 mM	0.2017 mL	1.0083 mL	2.0167 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.