GB1107 (GB-1107) is a novel, potent, selective, orally bioavailable galectin-3 (GAL-3) inhibitor with anticancer activity. IT inhibits GAL-3 with a Kd of 37 nM. GB1107 inhibits lung adenocarcinoma growth and augments response to PD-L1 blockade. GB1107 reduces human and mouse lung adenocarcinoma growth and blocks metastasis in the syngeneic model.
Physicochemical Properties
| Molecular Formula | C20H16CL2F3N3O4S |
| Molecular Weight | 522.324952125549 |
| Exact Mass | 521.019 |
| CAS # | 1978336-61-6 |
| PubChem CID | 122443390 |
| Appearance | White to off-white solid powder |
| LogP | 3.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 33 |
| Complexity | 656 |
| Defined Atom Stereocenter Count | 5 |
| SMILES | ClC1=C(C=CC(=C1)S[C@@H]1[C@@H]([C@H]([C@H]([C@@H](CO)O1)O)N1C=C(C2C=C(C(=C(C=2)F)F)F)N=N1)O)Cl |
| InChi Key | CSGJIUAIYDKFPC-DABHTEOTSA-N |
| InChi Code | InChI=1S/C20H16Cl2F3N3O4S/c21-10-2-1-9(5-11(10)22)33-20-19(31)17(18(30)15(7-29)32-20)28-6-14(26-27-28)8-3-12(23)16(25)13(24)4-8/h1-6,15,17-20,29-31H,7H2/t15-,17+,18+,19-,20-/m1/s1 |
| Chemical Name | 3,4-dichlorophenyl 3-deoxy-3-[4(3,4,5-trifluorophenyl)-1H-1,2,3- triazol-1-yl]-1-thio-α-D-galactopyranoside |
| Synonyms | GB1107 GB-1107 GB 1107 |
| 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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 | According to a flow cytometry investigation, treating LLC cells with GB1107 (0–1 μM) enhanced M1 macrophage location and CD8+ T cell survival. The PD-L1 immune checkpoint is strengthened by GB1107, which also raises the production of molecules with antagonistic (mitochondrial caspase-3) and cytotoxic (IFN-γ, granzyme B, perforin-1, Fas ligand) effects [1]. |
| ln Vivo | Tumor development and final tumor weight were considerably reduced when GB1107 (10 mg/kg, oral, once daily on days 18-30 following injection) was administered [1]. |
| Animal Protocol |
Animal/Disease Models: CD-1 female nude mice received 3x106 human lung adenocarcinoma cells (A549) [1]. Doses: 10 mg/kg Route of Administration: Orally one time/day on days 18-30 after implantation. Experimental Results: Results in a significant reduction in tumor growth and final tumor weight. |
| References |
[1]. An orally active galectin-3 antagonist inhibits lung adenocarcinoma growth and augments response to PD-L1 blockade. Cancer Res. 2019 Jan 23. pii: canres.2244.2018. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~50 mg/mL (~95.73 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.79 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (4.79 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 3: ≥ 2.5 mg/mL (4.79 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. Solubility in Formulation 4: 2.5 mg/mL (4.79 mM) in 5% DMSO + 40% PEG300 + 5% Tween80 + 50% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 5: ≥ 2.5 mg/mL (4.79 mM) (saturation unknown) in 5% DMSO + 95% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9145 mL | 9.5725 mL | 19.1450 mL | |
| 5 mM | 0.3829 mL | 1.9145 mL | 3.8290 mL | |
| 10 mM | 0.1914 mL | 0.9572 mL | 1.9145 mL |