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Antiviral API
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(S)-3-(Pyridine-3-yl)propyl 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate
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| Category | Human immunodeficiency Virus (HIV) |
| CAS | 186452-09-5 |
| Description | GPI-1046 is a immunophilin ligand without antibiotic action and attenuates ethanol intake in part through the upregulation of glutamate transporter 1 (GLT1) in PFC and NAc-core. GPI-1046 is an analog of FK506, which is an immunophilin ligand that has been shown neuroprotective effects in neurodegenerative disease models. GPI-1046 readily crosses the blood-brain barrier and promotes the regeneration of dopamine (DA) cells in the CNS in association with functional recovery in rodent models. GPI-1046 improves HIV-associated injury of peripheral nerves. |
Product Information
| Synonyms | 186452-09-5|gpi-1046|(S)-3-(Pyridin-3-yl)propyl 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate|3-pyridin-3-ylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate|CHEMBL6367|(S)-3-(PYRIDINE-3-YL)PROPYL 1-(3,3-DIMETHYL-2-OXOPENTANOYL)PYRROLIDINE-2-CARBOXYLATE|L-Proline, 1-(3,3-dimethyl-1,2-dioxopentyl)-, 3-(3-pyridinyl)propyl ester|(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE|3-pyridin-3-ylpropyl(2S)-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylate|GPI|SCHEMBL4766380|BDBM23334|GTPL11483|DTXSID00332191|1f40|ZINC3827029|MFCD00953146|AKOS015994582|AM84643|DB01951|ES-0040|3-(pyridin-3-yl)propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate|HY-124619|CS-0087142|953G146|A880654|Q27093051|3-pyridin-3-ylpropyl 1-(3,3-dimethyl-2-oxopentanoyl)-L-prolinate|(S)-3-(Pyridin-3-yl)propyl1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate|3-(3-pyridyl)-1-propyl (2s)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylate |
| IUPAC Name | 3-pyridin-3-ylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylate |
| Molecular Weight | 360.45 |
| Molecular Formula | C20H28N2O4 |
| Canonical SMILES | CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCC2=CN=CC=C2 |
| InChI | InChI=1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)26-13-7-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3/t16-/m0/s1 |
| InChIKey | OQAHHWOPVDDWHD-INIZCTEOSA-N |
| Boiling Point | 501.5±60.0 °C at 760 mmHg |
| Flash Point | 257.1±32.9 °C |
| Purity | 99.76% |
| Density | 1.1±0.1 g/cm3 |
| Solubility | In Vitro: DMSO : ≥ 100 mg/mL(277.43 mM) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: ≥ 1 mg/mL (2.77 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline) Solubility: ≥ 1 mg/mL (2.77 mM); Clear solution 3.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 1 mg/mL (2.77 mM); Clear solution |
| Appearance | Colorless to light yellow (Liquid) |
| Storage | 4°C, protect from light * In solvent : -80°C, 6 months -20°C, 1 month (protect from light) |
| Complexity | 518 |
| Exact Mass | 360.20490738 |
| Index Of Refraction | 1.529 |
| PSA | 90.40000 |
| Target | FKBP; HIV |
| Vapor Pressure | 0.0±1.3 mmHg at 25°C |
| XLogP3-AA | 3.1 |
