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Antiviral API
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Lavendustin B
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| Category | HIV Integrase |
| CAS | 125697-91-8 |
| Description | Lavendustin B is a competitive inhibitor of glucose transporter 1 (Glut1), and also an inhibitor of the interaction between HIV-1 integrase and LEDGF/p75. It can be used as a negative control of Lavendustin A. |
Product Information
| Synonyms | 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid |
| Molecular Weight | 365.38 |
| Molecular Formula | C21H19NO5 |
| Canonical SMILES | C1=CC=C(C(=C1)CN(CC2=CC=CC=C2O)C3=CC(=C(C=C3)O)C(=O)O)O |
| InChI | InChI=1S/C21H19NO5/c23-18-7-3-1-5-14(18)12-22(13-15-6-2-4-8-19(15)24)16-9-10-20(25)17(11-16)21(26)27/h1-11,23-25H,12-13H2,(H,26,27) |
| InChIKey | RTYOLBQXFXYMKY-UHFFFAOYSA-N |
| Boiling Point | 671.1±55.0 °C at 760 mmHg |
| Melting Point | >175ºC (dec.) |
| Flash Point | 359.7±31.5 °C |
| Purity | ≥95% |
| Density | 1.4±0.1 g/cm3 |
| Solubility | DMSO: 73 mg/mL (199.79 mM) Ethanol: 73 mg/mL (199.79 mM) Water: Insolub |
| Appearance | Crystalline Solid |
| Storage | Powder: 3 years -20°C In solvent: 2 years -80°C |
| Complexity | 463 |
| Exact Mass | 365.12632271 |
| Index Of Refraction | 1.727 |
| In Vitro | In HL-60 cells, Lavendustin B (0-1000 µM) inhibits the uptake of methylglucose, deoxyglucose, and dehydroascorbic acid in human erythrocytes in a dose-dependent manner, with 50% inhibition observed at approximately 10-30 µM. Moreover, increasing concentrations of Lavendustin B inhibited, in a dose-dependent manner, the binding of cytochalasin B to human erythrocyte membranes. |
| Target | GLUT1:15 μM (Ki) HIV-1 integrase interaction with LEDGF/p75:94.07 μM (IC50) |
| Vapor Pressure | 0.0±2.2 mmHg at 25°C |
| XLogP3-AA | 4 |
