Physicochemical Properties
| Molecular Formula | C32H35FN2O5 |
| Molecular Weight | 546.629112482071 |
| Exact Mass | 546.253 |
| CAS # | 1254730-81-8 |
| Related CAS # | SSTR5 antagonist 2 hydrochloride;SSTR5 antagonist 2 TFA;1254733-98-6 |
| PubChem CID | 49800498 |
| Appearance | Typically exists as solid at room temperature |
| LogP | 6.01 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Heavy Atom Count | 40 |
| Complexity | 832 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | C(O)(=O)C1=CC=C(N2C(=O)CC3(CCN(CC4=CC(OCC)=C(C5=CC=C(F)C=C5)C(OCC)=C4)CC3)C2)C=C1 |
| InChi Key | BLQCUVNVAODGCA-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C32H35FN2O5/c1-3-39-27-17-22(18-28(40-4-2)30(27)23-5-9-25(33)10-6-23)20-34-15-13-32(14-16-34)19-29(36)35(21-32)26-11-7-24(8-12-26)31(37)38/h5-12,17-18H,3-4,13-16,19-21H2,1-2H3,(H,37,38) |
| Chemical Name | 4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic 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
| ln Vivo | Oral administration of SSTR5 antagonist 2 (10 mg/kg) in mice results in an increase in both the total and active levels of circulating incretin hormone GLP1 [1]. When coupled with DPP4 inhibitors, SSTR5 antagonist 2 has a synergistic effect that increases pancreatic insulin secretion as well as total and active GLP1 release [1]. |
| Animal Protocol |
Animal/Disease Models: Rodent diabetes model without risk of hypoglycemia [1]. Doses: 10 mg/kg. Mode of Route of Administration: Orally. Experimental Results: Both total and active levels of the circulating incretin hormone GLP1 were increased. |
| References |
[1]. Discovery and Pharmacology of a Novel Somatostatin Subtype 5 (SSTR5) Antagonist: Synergy with DPP-4 Inhibition. ACS Med Chem Lett. 2018 Sep 12;9(11):1082-1087. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~25 mg/mL (~45.73 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.57 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 (4.57 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8294 mL | 9.1470 mL | 18.2939 mL | |
| 5 mM | 0.3659 mL | 1.8294 mL | 3.6588 mL | |
| 10 mM | 0.1829 mL | 0.9147 mL | 1.8294 mL |