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Antiviral API
- Arenavirus
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- Endogenous Metabolite
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- West Nile virus
- Antiviral intermediates
4-Phenylbutyric acid
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| Category | Virus Protease |
| CAS | 1821-12-1 |
| Description | A chemical chaperone involved in protein-folding disorders. |
Product Information
| Synonyms | 4-phenylbutanoic acid |
| IUPAC Name | 4-phenylbutanoic acid |
| Molecular Weight | 164.20 |
| Molecular Formula | C10H12O2 |
| Canonical SMILES | C1=CC=C(C=C1)CCCC(=O)O |
| InChI | InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12) |
| InChIKey | OBKXEAXTFZPCHS-UHFFFAOYSA-N |
| Boiling Point | 165 °C (10 mmHg) |
| Melting Point | 49-52°C |
| Flash Point | 187.9±13.9 °C |
| Purity | ≥ 98 %, ≥ 95 % e.e. |
| Density | 1.1±0.1 g/cm3 |
| Solubility | In Vitro: DMSO : 100 mg/mL(609.01 mM;Need ultrasonic) H2O : 2 mg/mL(609.01 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40% PEG300 >> 5% Tween-80 >> 45% saline Solubility: ≥ 2.08 mg/mL (12.67 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90% (20% SBE-β-CD in saline) Solubility: ≥ 2.08 mg/mL (12.67 mM); Clear solution 3.Add each solvent one by one:10% DMSO >> 90% corn oil Solubility: ≥ 2.08 mg/mL (12.67 mM); Clear solution |
| Appearance | White crystalline powder |
| Storage | Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month |
| Complexity | 137 |
| Exact Mass | 164.083729621 |
| Index Of Refraction | 1.535 |
| In Vitro | 4-Phenylbutyric acid (4-PBA) attenuates LPS-induced bone loss. Treatment with 4-Phenylbutyric acid increases BMD, BV/TV, and Tb. Th. compared with LPS alone, in addition to decreasing the enlargement of Tb. Sp., but no change is observed when mice are treated with Benzenebutyric acid alone. |
| In Vivo | Sodium 4-phenylbutyrate attenuates LPS-induced bone loss. Treatment with Sodium 4-phenylbutyrate increases BMD, BV/TV, and Tb. Th. compared with LPS alone, in addition to decreasing the enlargement of Tb. Sp., but no change is observed when mice are treated with Sodium 4-phenylbutyrate alone. Moreover, sodium 4-phenylbutyrate also reduces the LPS-induced rise in serum MCP-1, indicating that Sodium 4-phenylbutyrate decreases systemic inflammation induced by LPS. |
| PSA | 37.30000 |
| Target | HDAC; Virus Protease |
| Vapor Pressure | 0.0±0.6 mmHg at 25°C |
| XLogP3-AA | 2.4 |
