VU0453379 (VU-0453379; VU 0453379) is a novel, CNS-penetrant and potent glucagon-like peptide 1 receptor (GLP-1R) positive allosteric modulator (PAM) with EC50 of 1.3 μM.
Physicochemical Properties
| Molecular Formula | C26H34N4O2 |
| Molecular Weight | 434.573766231537 |
| Exact Mass | 434.27 |
| Elemental Analysis | C, 71.86; H, 7.89; N, 12.89; O, 7.36 |
| CAS # | 1638646-27-1 |
| Related CAS # | VU0453379 hydrochloride |
| PubChem CID | 101891769 |
| Appearance | Off-white to light yellow solid powder |
| LogP | 3.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 32 |
| Complexity | 759 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | CC(C)N1CCC[C@H]1CNC(=O)C2=CN(C(=O)C3=C2C4=CC=CC=C4N3C)C5CCCC5 |
| InChi Key | OEYYOVRNPJSWTO-IBGZPJMESA-N |
| InChi Code | InChI=1S/C26H34N4O2/c1-17(2)29-14-8-11-19(29)15-27-25(31)21-16-30(18-9-4-5-10-18)26(32)24-23(21)20-12-6-7-13-22(20)28(24)3/h6-7,12-13,16-19H,4-5,8-11,14-15H2,1-3H3,(H,27,31)/t19-/m0/s1 |
| Chemical Name | 2-cyclopentyl-9-methyl-1-oxo-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrido[3,4-b]indole-4-carboxamide |
| Synonyms | VU 0453379; VU-0453379; VU0453379 |
| 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, 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
| Targets | GLP-1R ( EC50 = 11.3 μM ) |
| References |
[1]. Discovery of (S)-2-cyclopentyl-N-((1-isopropylpyrrolidin2-yl)-9-methyl-1-oxo-2,9-dihydro-1H-pyrrido[3,4-b]indole-4-carboxamide (VU0453379): a novel, CNS penetrant glucagon-like peptide 1 receptor (GLP-1R) positive allosteric modulator (PAM). J Med Chem . 2014 Dec 11;57(23):10192-7. |
Solubility Data
| Solubility (In Vitro) | DMSO: ~100 mg/mL (~230.11 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.75 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3011 mL | 11.5056 mL | 23.0113 mL | |
| 5 mM | 0.4602 mL | 2.3011 mL | 4.6023 mL | |
| 10 mM | 0.2301 mL | 1.1506 mL | 2.3011 mL |