Physicochemical Properties
| Molecular Formula | C30H31CLFN5O4 |
| Molecular Weight | 580.049649477005 |
| Exact Mass | 579.2 |
| CAS # | 2230197-64-3 |
| PubChem CID | 134611104 |
| Appearance | White to off-white solid powder |
| LogP | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 9 |
| Heavy Atom Count | 41 |
| Complexity | 892 |
| Defined Atom Stereocenter Count | 2 |
| SMILES | C[C@H]1CN(CCN1CC2=NC3=C(N2C[C@@H]4CCO4)C=C(C=C3)C(=O)O)C5=NC(=CC=C5)OCC6=C(C=C(C=C6)Cl)F |
| InChi Key | IGXAOFNNKAUXCJ-CVDCTZTESA-N |
| InChi Code | InChI=1S/C30H31ClFN5O4/c1-19-15-36(27-3-2-4-29(34-27)41-18-21-5-7-22(31)14-24(21)32)11-10-35(19)17-28-33-25-8-6-20(30(38)39)13-26(25)37(28)16-23-9-12-40-23/h2-8,13-14,19,23H,9-12,15-18H2,1H3,(H,38,39)/t19-,23-/m0/s1 |
| Chemical Name | 2-[[(2S)-4-[6-[(4-chloro-2-fluorophenyl)methoxy]pyridin-2-yl]-2-methylpiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid |
| Synonyms | GLP-1 receptor agonist 2 |
| 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 | GLP-1R |
| References |
[1]. WO 2018/109607 A1. |
Solubility Data
| Solubility (In Vitro) | DMSO: ≥ 125 mg/mL (~215.5 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.59 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 20.8 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: ≥ 2.08 mg/mL (3.59 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 3: ≥ 2.08 mg/mL (3.59 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 | 1.7240 mL | 8.6199 mL | 17.2399 mL | |
| 5 mM | 0.3448 mL | 1.7240 mL | 3.4480 mL | |
| 10 mM | 0.1724 mL | 0.8620 mL | 1.7240 mL |