yingweiwo

Febuxostat impurity 7 (Febuxostat impurity 7)

Cat No.:V72181 Purity: ≥98%
Febuxostat impurity 7 is an impurity in Febuxostat.
Febuxostat impurity 7 (Febuxostat impurity 7)
Febuxostat impurity 7 (Febuxostat impurity 7) Chemical Structure CAS No.: 1350352-70-3
Product category: Drug Metabolite
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
5mg
10mg
25mg
Other Sizes
Official Supplier of:
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text
Alternate Text

 

  • Business Relationship with 5000+ Clients Globally
  • Major Universities, Research Institutions, Biotech & Pharma
  • Citations by Top Journals: Nature, Cell, Science, etc.
Top Publications Citing lnvivochem Products
Product Description
Febuxostat impurity 7 is an impurity in Febuxostat. Febuxostat is a selective xanthine oxidase (XO) inhibitor (antagonist) with Ki of 0.6 nM.
Febuxostat impurity 7 is a process-related byproduct formed during the synthesis of febuxostat. Febuxostat is a selective xanthine oxidase inhibitor used in the management of gout and hyperuricemia, with a Ki of 0.6 nM.
Biological Activity I Assay Protocols (From Reference)
Targets
Febuxostat impurity 7 is an impurity of febuxostat and does not have a defined pharmacological target. Febuxostat itself targets xanthine oxidase (XO). The impurity is used as a reference standard for quality control.
ln Vitro
Febuxostat impurity 7 does not exhibit significant pharmacological activity. It is a chemical impurity of febuxostat. Its primary use is as a reference standard for the identification and quantification of impurities in febuxostat formulations by HPLC.
ln Vivo
In vivo, Febuxostat impurity 7 is not administered as a therapeutic agent. It may be present as a trace impurity in febuxostat formulations. Its safety and toxicological profile are assessed in the context of pharmaceutical quality control to ensure that impurity levels remain below acceptable limits.
Enzyme Assay
In vitro assays for Febuxostat impurity 7 typically involve its use as a reference standard in HPLC or LC-MS methods for impurity profiling of febuxostat. The compound is characterized by its retention time, UV spectrum, and mass spectrum. System suitability tests are performed to ensure proper separation from febuxostat and other impurities.
Cell Assay
For in vitro cell assays, Febuxostat impurity 7 is not typically used as a treatment. It may be tested for cytotoxicity in cell-based assays to assess its safety as an impurity. Cells are cultured and treated with the compound at various concentrations, and cell viability is assessed by standard assays. Results are used to establish acceptable impurity limits.
Animal Protocol
For in vivo animal studies, Febuxostat impurity 7 is not typically administered as a therapeutic agent. Toxicological studies may be conducted to assess the safety of this impurity at relevant exposure levels. Animals are administered febuxostat formulations containing the impurity, and toxicological endpoints are monitored.
ADME/Pharmacokinetics
Febuxostat impurity 7 (MW 334.39) has the molecular formula C₁₆H₁₈N₂O₄S. The compound is stable under recommended storage conditions. It is a process-related byproduct formed during the synthesis of febuxostat.
Toxicity/Toxicokinetics
The compound is for research use only. No specific toxicity data are available. As a pharmaceutical impurity, its toxicity is assessed in the context of quality control to ensure patient safety. Standard laboratory safety precautions should be followed when handling this compound.
References
[1]. Manne Satyanarayana Reddy, et al. Process for preparation of 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methylthiazole-5-carboxylic acid and its pharmaceutically acceptable salts. WO2011141933A2.
Additional Infomation
Febuxostat impurity 7 (CAS# 1350352-70-3) is a designated impurity of the xanthine oxidase inhibitor febuxostat. It has not been approved as a therapeutic agent. The compound is used as a reference standard in pharmaceutical quality control for impurity profiling of febuxostat formulations. It is also known as Febuxostat impurity 7.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C16H18N2O4S
Molecular Weight
334.39
Exact Mass
334.099
CAS #
1350352-70-3
PubChem CID
54588800
Appearance
White to off-white solid powder
LogP
3.659
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
6
Heavy Atom Count
23
Complexity
432
Defined Atom Stereocenter Count
0
SMILES
S1C(C(O)=O)=C(C)N=C1C1=CC=C(OCC(C)C)C(/C=N/O)=C1
InChi Key
MDMGIABSBHFMNF-REZTVBANSA-N
InChi Code
InChI=1S/C16H18N2O4S/c1-9(2)8-22-13-5-4-11(6-12(13)7-17-21)15-18-10(3)14(23-15)16(19)20/h4-7,9,21H,8H2,1-3H3,(H,19,20)/b17-7+
Chemical Name
2-[3-[(E)-hydroxyiminomethyl]-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO: 250 mg/mL (747.63 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.22 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.9905 mL 14.9526 mL 29.9052 mL
5 mM 0.5981 mL 2.9905 mL 5.9810 mL
10 mM 0.2991 mL 1.4953 mL 2.9905 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
/

Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
+
+
+

Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

Contact Us