Febuxostat sec-butoxy acid

Cat. No.: HY-131267 Purity: ≥95.0%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

Febuxostat sec-butoxy acid is an impurity of Febuxostat. Febuxostat is selective xanthine oxidase inhibitor with a K_i of 0.6 nM.

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

Febuxostat sec-butoxy acid Chemical Structure

CAS No. : 1335202-59-9

Size	Price	Stock
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 87	Ask For Quote & Lead Time
Solution
10 mM * 1 mL in DMSO	USD 87	Ask For Quote & Lead Time
Solid
1 mg	USD 25	Ask For Quote & Lead Time

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Purity & Documentation
References
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Description

Febuxostat sec-butoxy acid is an impurity of Febuxostat. Febuxostat is selective xanthine oxidase inhibitor with a K_i of 0.6 nM^[1].

Molecular Weight

316.37

Formula

C₁₆H₁₆N₂O₃S

CAS No.

1335202-59-9

Appearance

Solid

Color

White to off-white

SMILES

O=C(C1=C(C)N=C(C2=CC=C(OC(C)CC)C(C#N)=C2)S1)O

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

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

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (316.09 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	3.1609 mL	15.8043 mL	31.6086 mL
5 mM	0.6322 mL	3.1609 mL	6.3217 mL
10 mM	0.3161 mL	1.5804 mL	3.1609 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)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (7.90 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (7.90 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 2.5 mg/mL (7.90 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

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.

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: ≥95.0%

Select Batch:

Data Sheet (271 KB) SDS (393 KB)

COA (249 KB) HNMR (212 KB)

Handling Instructions (2659 KB)

References

[1]. Takano Y, et al. Selectivity of febuxostat, a novel non-purine inhibitor of xanthine oxidase/xanthine dehydrogenase. Life Sci, 2005, 76(16), 1835-1847. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	3.1609 mL	15.8043 mL	31.6086 mL	79.0214 mL
	5 mM	0.6322 mL	3.1609 mL	6.3217 mL	15.8043 mL
	10 mM	0.3161 mL	1.5804 mL	3.1609 mL	7.9021 mL
	15 mM	0.2107 mL	1.0536 mL	2.1072 mL	5.2681 mL
	20 mM	0.1580 mL	0.7902 mL	1.5804 mL	3.9511 mL
	25 mM	0.1264 mL	0.6322 mL	1.2643 mL	3.1609 mL
	30 mM	0.1054 mL	0.5268 mL	1.0536 mL	2.6340 mL
	40 mM	0.0790 mL	0.3951 mL	0.7902 mL	1.9755 mL
	50 mM	0.0632 mL	0.3161 mL	0.6322 mL	1.5804 mL
	60 mM	0.0527 mL	0.2634 mL	0.5268 mL	1.3170 mL
	80 mM	0.0395 mL	0.1976 mL	0.3951 mL	0.9878 mL
	100 mM	0.0316 mL	0.1580 mL	0.3161 mL	0.7902 mL