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Nicotinic acid N-oxide

Cat No.:V31270 Purity: ≥98%
Nicotinic acid N-oxide may be utilized in the research/study of hyperlipidemia.
Nicotinic acid N-oxide
Nicotinic acid N-oxide Chemical Structure CAS No.: 2398-81-4
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
10g
Other Sizes
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Product Description
Nicotinic acid N-oxide may be utilized in the research/study of hyperlipidemia.
Nicotinic acid N-oxide (Nicotinic acid 1-oxide, Oxiniacic Acid) is a nicotinic acid derivative. It is used to treat hyperlipidemia. It is a hydrogen bond donor that can form strong hydrogen bonds.
Biological Activity I Assay Protocols (From Reference)
Targets
Nicotinic acid N-oxide does not have a well-defined target. It is a nicotinic acid derivative used to treat hyperlipidemia. It may act through similar mechanisms as nicotinic acid, but its specific target is not clearly established.
ln Vitro
In cell-free systems, the activity of Nicotinic acid N-oxide is not typically studied. It is a small molecule with known chemical properties. Its ability to form hydrogen bonds may be relevant to its interactions with other molecules. Nicotinic acid N-oxide has been reported to inhibit the Menin-MLL interaction in MLL-related leukemias and block Ebola virus entry, with AC50 values ranging from 5.012 µM to 31622.8 nM. This suggests diverse bioactivities beyond its lipid-lowering effects.
ln Vivo
In vivo, Nicotinic acid N-oxide is used to treat hyperlipidemia. Its efficacy in lowering lipid levels is established. Its other potential activities, such as antiviral effects, require further in vivo validation.
Enzyme Assay
In vitro assays for Nicotinic acid N-oxide are not standard. Its lipid-lowering activity may be assessed in cell-based assays measuring lipid accumulation. Its Menin-MLL interaction inhibition is measured in biochemical assays.
Cell Assay
Cell-based assays are used to study its effects on lipid metabolism or viral entry. For example, its ability to inhibit Ebola virus entry is assessed in cell culture models using pseudotyped viruses. Its effects on leukemic cells are studied in vitro.
Animal Protocol
In vivo studies are conducted in animal models of hyperlipidemia. The compound is administered, and its effects on serum lipid levels are measured. Its antiviral activity may be evaluated in animal models of Ebola or other viral infections.
ADME/Pharmacokinetics
Pharmacokinetic properties of Nicotinic acid N-oxide are not well-documented. As a derivative of nicotinic acid, it may share some of its pharmacokinetic characteristics, such as oral bioavailability and hepatic metabolism. Further studies are needed.
Toxicity/Toxicokinetics
Toxicological data for Nicotinic acid N-oxide is limited. Side effects may be similar to those of nicotinic acid, such as flushing and gastrointestinal disturbances. Its safety profile requires further investigation.
Additional Infomation
Oxiniacic acid is an aromatic carboxylic acid belonging to the pyridine class of compounds. It is a derivative of nicotinic acid.
Nicotinic acid N-oxide is a nicotinic acid derivative used to treat hyperlipidemia. It has been investigated for other activities, including antiviral effects. It is a research compound and may have therapeutic applications.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C6H5NO3
Molecular Weight
139.1088
Exact Mass
139.026
CAS #
2398-81-4
PubChem CID
16976
Appearance
White to off-white solid powder
Density
1.4±0.1 g/cm3
Boiling Point
469.0±18.0 °C at 760 mmHg
Melting Point
254-255 °C (dec.)(lit.)
Flash Point
237.4±21.2 °C
Vapour Pressure
0.0±1.2 mmHg at 25°C
Index of Refraction
1.577
LogP
-1.52
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Heavy Atom Count
10
Complexity
137
Defined Atom Stereocenter Count
0
InChi Key
FJCFFCXMEXZEIM-UHFFFAOYSA-N
InChi Code
InChI=1S/C6H5NO3/c8-6(9)5-2-1-3-7(10)4-5/h1-4H,(H,8,9)
Chemical Name
1-oxidopyridin-1-ium-3-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 : ~12.5 mg/mL (~89.86 mM)
H2O : ~0.1 mg/mL (~0.72 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (17.97 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.

Solubility in Formulation 2: ≥ 2.5 mg/mL (17.97 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.

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Solubility in Formulation 3: ≥ 2.5 mg/mL (17.97 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 25.0 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 7.1886 mL 35.9428 mL 71.8856 mL
5 mM 1.4377 mL 7.1886 mL 14.3771 mL
10 mM 0.7189 mL 3.5943 mL 7.1886 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.
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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.)
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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.

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