 Chemical Structure.png)
Physicochemical Properties
| Molecular Formula | C20H19N3O6S |
| Molecular Weight | 429.45 |
| Exact Mass | 429.099 |
| CAS # | 936095-50-0 |
| PubChem CID | 16125102 |
| Appearance | White to off-white solid powder |
| Density | 1.474±0.06 g/cm3 (20 °C, 760 mmHg) |
| Boiling Point | 681.3±65.0 °C (760 mmHg) |
| Melting Point | 275-278 °C (decomp) (water) |
| LogP | 1.905 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 30 |
| Complexity | 751 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | CC1=CN(C(=O)N(C1=O)CC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C[C@@H](C(=O)O)N |
| InChi Key | LCZDCKMQSBGXAH-AWEZNQCLSA-N |
| InChi Code | InChI=1S/C20H19N3O6S/c1-11-8-22(10-14(21)18(25)26)20(29)23(17(11)24)9-13-7-15(30-16(13)19(27)28)12-5-3-2-4-6-12/h2-8,14H,9-10,21H2,1H3,(H,25,26)(H,27,28)/t14-/m0/s1 |
| Chemical Name | 3-[[3-[(2S)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]-5-phenylthiophene-2-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 | Kb: 1.4 nM (GluK1)[1] |
| ln Vitro | At all tested concentrations (up to 100 μM), UBP316 is ineffective at GluK2 (GluR6) receptors, while at 1 μM, it had no effect at GluK3 (GluR7) receptors[1]. Following repeated spikes, UBP316 (200 nM) lessens the pre-synaptic calcium transients' short-term facilitation[1]. In vitro, UBP316 successfully counteracts GluK1-mediated suppression of excitatory transmission in the hippocampal CA1 region[1]. Long-term potentiation (LTP) that is not dependent on NMDA receptors is inhibited by UBP316[1]. |
| References |
[1]. ACET is a highly potent and specific kainate receptor antagonist: Characterisation and effects on hippocampal mossy fibre function. Neuropharmacology. 2009 Jan;56(1):121-30. |
Solubility Data
| Solubility (In Vitro) |
1M NaOH: 80 mg/mL (186.28 mM) DMSO: 2 mg/mL (4.66 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.2 mg/mL (0.47 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 2.0 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: ≥ 0.2 mg/mL (0.47 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 2.0 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: ≥ 0.2 mg/mL (0.47 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 2.0 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 | 2.3286 mL | 11.6428 mL | 23.2856 mL | |
| 5 mM | 0.4657 mL | 2.3286 mL | 4.6571 mL | |
| 10 mM | 0.2329 mL | 1.1643 mL | 2.3286 mL |