Lavendustin B | CAS:125697-91-8 | Manufacturer ChemFaces

Lavendustin B

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Lavendustin B Description

Source:	From Streptomyces griseolavendus
Solvent:	Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.
Storage:	Providing storage is as stated on the product vial and the vial is kept tightly sealed, the product can be stored for up to 24 months(2-8C). Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20C. Generally, these will be useable for up to two weeks. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please email to: service@chemfaces.com
After receiving:	The packaging of the product may have turned upside down during transportation, resulting in the natural compounds adhering to the neck or cap of the vial. take the vial out of its packaging and gently shake to let the compounds fall to the bottom of the vial. for liquid products, centrifuge at 200-500 RPM to gather the liquid at the bottom of the vial. try to avoid loss or contamination during handling.

Kinase Assay:

Eur J Med Chem. 2016 Nov 10;123:673-83.

Computational and synthetic approaches for developing Lavendustin B derivatives as allosteric inhibitors of HIV-1 integrase.[Pubmed: 27517812 ]

Through structure-based virtual screening and subsequent activity assays of selected natural products, Lavendustin B was previously identified as an inhibitor of HIV-1 integrase (IN) interaction with its cognate cellular cofactor, lens epithelium-derived growth factor (LEDGF/p75). In order to improve the inhibitory potency we have employed in silico-based approaches. Particularly, a series of new analogues was designed and docked into the LEDGF/p75 binding pocket of HIV-1 IN.
METHODS AND RESULTS:
To identify promising leads we used the Molecular Mechanics energies combined with the Generalized Born and Surface Area continuum solvation (MM-GBSA) method, molecular dynamics simulations and analysis of hydrogen bond occupancies. On the basis of these studies, six analogues of Lavendustine B, containing the benzylamino-hydroxybenzoic scaffold, were selected for synthesis and structure activity-relationship (SAR) studies. Our results demonstrated a good correlation between computational and experimental data, and all six analogues displayed an improved potency for inhibiting IN binding to LEDGF/p75 in vitro to respect to the parent compound Lavendustin B. Additionally, these analogs show to inhibit weakly LEDGF/p75-independent IN catalytic activity suggesting a multimodal allosteric mechanism of action. Nevertheless, for the synthesized compounds similar profiles for HIV-1 inhibition and cytoxicity were highlighted.
CONCLUSIONS:
Taken together, our studies elucidated the mode of action of Lavendustin B analogs and provided a path for their further development as a new promising class of HIV-1 integrase inhibitors.

Product Name	Lavendustin B
Price:
CAS No.:	125697-91-8
Catalog No.:	CFN00086
Molecular Formula:	C₂₁H₁₉NO₅
Molecular Weight:	365.38 g/mol
Purity:	>=98%
Type of Compound:	Alkaloids
Physical Desc.:	Powder
Source:	From Streptomyces griseolavendus
Solvent:	Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.
Download:	COA MSDS
Similar structural:	Comparison (Web) (SDF)
Guestbook:

Size /Price /Stock	10 mM * 100 uL in DMSO / Inquiry / In-stock 10 mM * 1 mL in DMSO / Inquiry / In-stock
Related Libraries	Inhibitors Compound Library Alkaloids Compound Library HIV Inhibitor Library

Description:	Lavendustin B is an inhibitor of HIV-1 integrase (IN) interaction with its cognate cellular cofactor, lens epithelium-derived growth factor (LEDGF/p75).
Targets:	HIV

	1 mg	5 mg	10 mg	20 mg	25 mg
1 mM	2.7369 mL	13.6844 mL	27.3688 mL	54.7375 mL	68.4219 mL
5 mM	0.5474 mL	2.7369 mL	5.4738 mL	10.9475 mL	13.6844 mL
10 mM	0.2737 mL	1.3684 mL	2.7369 mL	5.4738 mL	6.8422 mL
50 mM	0.0547 mL	0.2737 mL	0.5474 mL	1.0948 mL	1.3684 mL
100 mM	0.0274 mL	0.1368 mL	0.2737 mL	0.5474 mL	0.6842 mL

CFN89212	Caulophylline B	1359978-55-4	343.37	C₁₉H₂₁NO₅
CFN91984	Caulophine	1159989-19-1	343.37	C₁₉H₂₁NO₅
CFN91008	Atherosperminine	5531-98-6	309.4	C₂₀H₂₃NO₂
CFN00068	Crassifoline methine	133084-00-1	343.42	C₂₀H₂₅NO₄
CFN00085	Lavendustin A	125697-92-9	381.38	C₂₁H₁₉NO₆
CFN00086	Lavendustin B	125697-91-8	365.38	C₂₁H₁₉NO₅
CFN00094	Tribenzylamine	620-40-6	288.41	C₂₁H₂₁N
CFN00095	Trichosanatine	169626-16-8	444.53	C₂₇H₂₈N₂O₄
CFN90113	9-Phenylcarbazole	1150-62-5	243.30	C₁₈H₁₃N
CFN90114	3-Bromo-N-phenylcarbazole	1153-85-1	322.20	C₁₈H₁₂BrN