Lavendustin B

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.

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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	>175°C (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