CAS 125697-91-8|lavendustin B
Introduction：Basic information about CAS 125697-91-8|lavendustin B, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | lavendustin B | ||
|---|---|---|---|
| CAS Number | 125697-91-8 | Molecular Weight | 365.37900 |
| Density | 1.423 g/cm3 | Boiling Point | 671.1ºC at 760 mmHg |
| Molecular Formula | C21H19NO5 | Melting Point | 140-144ºC |
| MSDS | / | Flash Point | 359.7ºC |
Names
| Name | Lavendustin B |
|---|---|
| Synonym | More Synonyms |
lavendustin B BiologicalActivity
| Description | Lavendustin B is an inhibitor of HIV-1 integrase interaction with LEDGF/p75 with an IC50 of 94.07 μM. Lavendustin B is an ATP-competitive GLUT1 inhibitor with a Ki of 15 µM. Lavendustin B is also a weak inhibitor of tyrosine kinases[1][2]. |
|---|---|
| Related Catalog | Research Areas >>CancerSignaling Pathways >>Metabolic Enzyme/Protease >>TyrosinaseSignaling Pathways >>Metabolic Enzyme/Protease >>HIV Integrase |
| Target | GLUT1:15 μM (Ki) HIV-1 integrase interaction with LEDGF/p75:94.07 μM (IC50) |
| 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[1]. |
| References | [1]. J C Vera, et al. Direct inhibition of the hexose transporter GLUT1 by tyrosine kinase inhibitors. Biochemistry. 2001 Jan 23;40(3):777-90. [2]. Fatima E Agharbaoui, et al. Computational and synthetic approaches for developing Lavendustin B derivatives as allosteric inhibitors of HIV-1 integrase. Eur J Med Chem. 2016 Nov 10;123:673-683. |
Chemical & Physical Properties
| Density | 1.423 g/cm3 |
|---|---|
| Boiling Point | 671.1ºC at 760 mmHg |
| Melting Point | 140-144ºC |
| Molecular Formula | C21H19NO5 |
| Molecular Weight | 365.37900 |
| Flash Point | 359.7ºC |
| Exact Mass | 365.12600 |
| PSA | 101.23000 |
| LogP | 3.70840 |
| Vapour Pressure | 6.31E-19mmHg at 25°C |
| Index of Refraction | 1.726 |
| InChIKey | RTYOLBQXFXYMKY-UHFFFAOYSA-N |
| SMILES | O=C(O)c1cc(N(Cc2ccccc2O)Cc2ccccc2O)ccc1O |
Synonyms
| 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid |
