Bay 41-4109 racemate

Name: Bay 41-4109 racemate
Brand: MedChemExpress
SKU: HY-100029A
Rating: 4.5 (2 reviews)

Cat. No.: HY-100029A Purity: 98.92%: FAQs
Data Sheet SDS COA Handling Instructions

BAY 41-4109 racemate is the racemate of BAY 41-4109. BAY 41-4109 is a potent inhibitor of human hepatitis B virus (HBV) with an IC₅₀ of 53 nM.

For research use only. We do not sell to patients.

Bay 41-4109 racemate Chemical Structure

CAS No. : 298708-79-9

Size	Price	Stock	Quantity
Solid + Solvent
10 mM * 1 mL in DMSO ready for reconstitution	USD 77	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 77	In-stock	Estimated Time of Arrival: December 31
Solid
1 mg	USD 33	In-stock	Estimated Time of Arrival: December 31
5 mg	USD 70	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 120	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 380	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 600	In-stock	Estimated Time of Arrival: December 31
200 mg		Get quote
500 mg		Get quote

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Customer Review

Based on 2 publication(s) in Google Scholar

Other Forms of Bay 41-4109 racemate:

Bay 41-4109 In-stock
Bay 41-4109 (less active enantiomer) Get quote

2 Publications Citing Use of MCE Bay 41-4109 racemate

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Biological Activity
Protocol
Purity & Documentation
References
Customer Review

Description

BAY 41-4109 racemate is the racemate of BAY 41-4109. BAY 41-4109 is a potent inhibitor of human hepatitis B virus (HBV) with an IC₅₀ of 53 nM.

IC₅₀ & Target

IC50: 53 nM (HBV)^[1]

In Vitro

BAY 41-4109 is able to both accelerate and misdirect capsid assembly in vitro. Preformed capsids are stabilized by BAY 41-4109, up to a ratio of one inhibitor molecule per two dimers^[2]. BAY 41-4109 is equally effective at inhibiting HBV DNA release and the cytoplasmic HBcAg level, with IC₅₀s of 32.6 and 132 nM in HepG2.2.15 cells, respectively. HBV DNA and HBcAg are inhibited in a dose-dependent manner, indicating that the anti-HBV mechanisms are associated with and dependent on the rate of HBcAg inhibition^[3].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

BAY 41-4109 reduces viral DNA in the liver and in the plasma dose-dependently with efficacy comparable to 3TC. BAY 41 -4109 reduces hepatitis B virus core antigen (HBcAg) in livers of HBV-transgenic mice. Pharmacokinetic studies in mice have shown rapid absorption, a bioavailability of 30% and dose-proportional plasma concentrations, about 60% in rats and dogs^[1].BAY41-4109 inhibits virus production in vivo by a mechanism that targets the viral capsid^[2].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Molecular Weight

395.76

Appearance

Solid

Formula

C₁₈H₁₃ClF₃N₃O₂

CAS No.

298708-79-9

SMILES

O=C(C1=C(C)N=C(C2=NC=C(F)C=C2F)NC1C3=CC=C(F)C=C3Cl)OC

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	2 years
	-20°C	1 year

Solvent & Solubility

In Vitro:

DMSO : 50 mg/mL (126.34 mM; ultrasonic and warming and heat to 60°C)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	2.5268 mL	12.6339 mL	25.2678 mL
5 mM	0.5054 mL	2.5268 mL	5.0536 mL
10 mM	0.2527 mL	1.2634 mL	2.5268 mL

*Please refer to the solubility information to select the appropriate solvent.

In Vivo:

1.

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: 2.5 mg/mL (6.32 mM); Suspended solution; Need ultrasonic

*All of the co-solvents are available by MedChemExpress (MCE).

Purity & Documentation

Purity: 98.92%

Select Batch:

Data Sheet (277 KB) SDS (393 KB)

COA (250 KB) HNMR (435 KB) LCMS (94 KB)

Handling Instructions (2659 KB)

References

[1]. Weber O, et al. Inhibition of human hepatitis B virus (HBV) by a novel non-nucleosidic compound in a transgenic mouse model. Antiviral Res. 2002 May;54(2):69-78. [Content Brief]

[2]. Stray SJ, et al. BAY 41-4109 has multiple effects on Hepatitis B virus capsid assembly. J Mol Recognit. 2006 Nov-Dec;19(6):542-8. [Content Brief]

[3]. Wu GY, et al. Inhibition of hepatitis B virus replication by Bay 41-4109 and its association with nucleocapsid disassembly. J Chemother. 2008 Aug;20(4):458-67. [Content Brief]

Cell Assay ^[3]	Cellular metabolism is evaluated by MTT colorimetry. HepG2.2.15 cells are plated at a density of 2 × 10³ cells per well in 96-well plates. After 8 d of treatment with different concentrations of each antiviral compound, 20 μL of MTT solution (5 g/L) are added to each well and incubated at 37°C for 4 h. Next, 150 μL of DMSO is added and stirred for 10 min to dissolve the crystals. Absorbance values are recorded at 490 nm by using an ELISA reader. The MTT values are calculated using the curve regression equation^[3]. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Animal Administration ^[1]	Mice: The HBV-transgenic mice are used in the study. Compounds (BAY 41-4109) are formulated as a suspension in 0.5% Tylose and administered per os to mice two times/day for a 28 day period. The 0.5% Tylose serves as a placebo. Six hours after the last treatment, the animals are sacrificed and livers are removed and immediately frozen for subsequent analysis. Blood is obtained by cardiac puncture of the anesthesized animals^[1]. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
References	[1]. Weber O, et al. Inhibition of human hepatitis B virus (HBV) by a novel non-nucleosidic compound in a transgenic mouse model. Antiviral Res. 2002 May;54(2):69-78. [Content Brief] [2]. Stray SJ, et al. BAY 41-4109 has multiple effects on Hepatitis B virus capsid assembly. J Mol Recognit. 2006 Nov-Dec;19(6):542-8. [Content Brief] [3]. Wu GY, et al. Inhibition of hepatitis B virus replication by Bay 41-4109 and its association with nucleocapsid disassembly. J Chemother. 2008 Aug;20(4):458-67. [Content Brief]