Bay 41-4109 (less active enantiomer)

製品番号: HY-100029B: Data Sheet SDS 取扱説明書
FAQs
Technical Support

Bay 41-4109 less active enantiomer shows less activity than Bay 41-4109. BAY 41-4109 is a potent inhibitor of human hepatitis B virus (HBV) with an IC₅₀ of 53 nM.

商品は「研究用試薬」です。人や動物の医療用・臨床診断用・食品用の製品ではありません。
研究用途以外に使用した場合、当社は一切の責任を負いかねます。

Bay 41-4109 (less active enantiomer) 構造式

CAS 番号 : 476617-51-3

容量		在庫状況
MOQ		Minimum order quantity
50 mg		お問い合わせ
100 mg		お問い合わせ
250 mg		お問い合わせ
Other size		お問い合わせ

* アイテムを追加する前、数量をご選択ください

This product is a controlled substance and not for sale in your territory.

Other Forms of Bay 41-4109 (less active enantiomer):

Bay 41-4109 在庫あり
Bay 41-4109 racemate 在庫あり

おすすめ

•関連小分子:

•関連タンパク質:

生物活性
プロトコル
純度とドキュメンテーション
参考文献
カスタマーレビュー

製品説明

Bay 41-4109 less active enantiomer shows less activity than 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, Bay 41-4109)^[1]

体外実験

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.

体内実験

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.

分子量

395.76

分子式

C₁₈H₁₃ClF₃N₃O₂

CAS 番号

476617-51-3

Appearance

Solid

Color

Light yellow to yellow

SMILES

O=C(C1=C(C)N=C(C2=NC=C(F)C=C2F)N[C@@H]1C3=CC=C(F)C=C3Cl)OC

輸送条件

Room temperature in continental US; may vary elsewhere.

保管条件

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

溶剤 & 溶解度

体外:

DMSO : ≥ 37 mg/mL (93.49 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

*"≥" means soluble, but saturation unknown.

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

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

一般には略語で表示されます：C₁V₁ = C₂V₂

濃度 _（開始）

体積 _（開始）

濃度 _（終了）

体積 _（終了）

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Calculation results:

Working solution concentration: mg/mL

純度とドキュメンテーション

データシート (277 KB) SDS (102 KB) 取扱説明書 (2659 KB)

参考文献

[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]

細胞実験 ^[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]. MedChemExpress (MCE) はこれらの方法の精度を確認していません。こちらは参照専用です。
動物実験 ^[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]. MedChemExpress (MCE) はこれらの方法の精度を確認していません。こちらは参照専用です。
参考文献	[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]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	2.5268 mL	12.6339 mL	25.2678 mL	63.1696 mL
	5 mM	0.5054 mL	2.5268 mL	5.0536 mL	12.6339 mL
	10 mM	0.2527 mL	1.2634 mL	2.5268 mL	6.3170 mL
	15 mM	0.1685 mL	0.8423 mL	1.6845 mL	4.2113 mL
	20 mM	0.1263 mL	0.6317 mL	1.2634 mL	3.1585 mL
	25 mM	0.1011 mL	0.5054 mL	1.0107 mL	2.5268 mL
	30 mM	0.0842 mL	0.4211 mL	0.8423 mL	2.1057 mL
	40 mM	0.0632 mL	0.3158 mL	0.6317 mL	1.5792 mL
	50 mM	0.0505 mL	0.2527 mL	0.5054 mL	1.2634 mL
	60 mM	0.0421 mL	0.2106 mL	0.4211 mL	1.0528 mL
	80 mM	0.0316 mL	0.1579 mL	0.3158 mL	0.7896 mL