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2-Hydroxymethyl-5-hydroxypyridine (6-(hydroxymethyl)pyridin-3-ol)

Alias: 2-Hydroxymethyl-5-hydroxypyridine
2-Hydroxymethyl-5-hydroxypyridine was extracted from the mature and dried seeds of S.
2-Hydroxymethyl-5-hydroxypyridine (6-(hydroxymethyl)pyridin-3-ol)
2-Hydroxymethyl-5-hydroxypyridine (6-(hydroxymethyl)pyridin-3-ol) Chemical Structure CAS No.: 40222-77-3
Product category: Phenols
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
2-Hydroxymethyl-5-hydroxypyridine was isolated from the mature and dried seeds of S. lychnophora.
2-Hydroxymethyl-5-hydroxypyridine (CAS# 40222-77-3), also known as 6-(hydroxymethyl)pyridin-3-ol, is a natural product with the molecular formula C6H7NO2 and a molecular weight of 125.13. It is isolated from the matured, ripened, and dried seeds of S. lychnophora. The compound is classified as a natural product and is used as an analytical standard. It has a purity of 99.67%. The compound is stored under appropriate conditions for research applications. It is intended for research use only and is not for human therapeutic use.
Biological Activity I Assay Protocols (From Reference)
Targets
2-Hydroxymethyl-5-hydroxypyridine is a natural product isolated from S. lychnophora seeds. As a pyridine derivative with both hydroxymethyl and hydroxyl substituents, it may interact with various biological targets. The compound's natural occurrence suggests it may have ecological or physiological functions in the plant. Its use as an analytical standard indicates it is used for identification and quantification purposes. Further research is needed to identify its specific molecular targets and biological activities. The compound's structure suggests potential for hydrogen bonding and metal chelation interactions.
ln Vitro
In vitro studies of 2-Hydroxymethyl-5-hydroxypyridine have focused on its isolation and characterization from S. lychnophora seeds. The compound has been identified as a natural product with a purity of 99.67%. Its chemical structure has been confirmed using analytical methods. The compound is used as an analytical standard for research and analytical applications. These in vitro studies provide foundational data for understanding the compound's properties and its potential applications in natural product research and analytical chemistry. Further biological studies are needed to characterize its activities.
ln Vivo
In vivo studies of 2-Hydroxymethyl-5-hydroxypyridine are limited, as the compound is primarily used as a research chemical and analytical standard. Its isolation from S. lychnophora seeds suggests it may have ecological or physiological functions in the plant. As a natural product, it may be metabolized through standard xenobiotic pathways if consumed. However, comprehensive in vivo studies specifically targeting this compound are not well documented in the available literature. Further research is needed to fully characterize its in vivo pharmacokinetic and pharmacodynamic properties.
Enzyme Assay
In vitro enzyme and receptor binding assays for 2-Hydroxymethyl-5-hydroxypyridine are not well documented, as the compound is primarily used as an analytical standard and natural product. Its purity and identity are assessed using analytical chemistry methods such as high-performance liquid chromatography, nuclear magnetic resonance spectroscopy, and mass spectrometry. The compound's solubility and stability are characterized for research applications. For potential biological activities, relevant assays would need to be developed based on its structural features. All assays are performed with appropriate controls and standardized protocols to ensure reproducibility of results.
Cell Assay
In vitro cell-based assays for 2-Hydroxymethyl-5-hydroxypyridine are limited, as the compound is primarily used as an analytical standard and natural product. Its effects on cells would need to be evaluated in the context of its natural occurrence. Cells could be treated with varying concentrations of the compound and cell viability assessed using MTT or similar colorimetric assays. Potential biological activities such as antioxidant, antimicrobial, or cytotoxic effects could be evaluated. However, comprehensive cell-based studies specifically targeting this compound are not well documented in the available literature.
Animal Protocol
In vivo animal experiments for 2-Hydroxymethyl-5-hydroxypyridine are not well documented, as the compound is primarily used as a research chemical and analytical standard. For potential pharmacological studies, animals would be administered the compound and relevant parameters assessed. Parameters assessed would include body weight, organ weights, blood biochemistry, and histopathology. Control groups receiving vehicle alone would be included for comparison. All procedures would comply with institutional animal care and use committee guidelines. Comprehensive in vivo studies are not well documented in the available literature.
ADME/Pharmacokinetics
The pharmacokinetic properties of 2-Hydroxymethyl-5-hydroxypyridine reflect its nature as a small pyridine derivative. It has a molecular weight of 125.13 and the molecular formula C6H7NO2. The compound has a purity of 99.67%. As a small hydrophilic molecule with both hydroxymethyl and hydroxyl groups, it is expected to be water-soluble. The compound is stored under appropriate conditions for research applications. Complete pharmacokinetic profiling including absorption, distribution, metabolism, excretion, half-life, and bioavailability would require further systematic studies using appropriate analytical methods such as high-performance liquid chromatography-mass spectrometry.
Toxicity/Toxicokinetics
The toxicity profile of 2-Hydroxymethyl-5-hydroxypyridine has been evaluated in the context of its use as a research chemical. As a natural product isolated from S. lychnophora seeds, it is expected to have a favorable safety profile at research concentrations. Proper handling procedures including use of personal protective equipment are recommended when working with pure compound. The compound is not approved for human therapeutic use and is intended for research purposes only. Long-term toxicity studies would be needed to fully establish its safety profile for pharmaceutical applications. The compound's natural occurrence suggests it may be safe at low concentrations.
References

[1]. Secondary metabolites from Sterculia lychnophora Hance (Pangdahai). Biochemical Systematics and Ecology, Volume 92, October 2020, 104125.

Additional Infomation
5-Hydroxy-2-pyridinemethanol is a hydroxypyridine. 6-(hydroxymethyl)pyridine-3-ol has been reportedly found in Codonopsis pilosula, and relevant data are available.
2-Hydroxymethyl-5-hydroxypyridine (CAS# 40222-77-3) is also known as 6-(hydroxymethyl)pyridin-3-ol. It has the molecular formula C6H7NO2 and a molecular weight of 125.13. The compound is isolated from the matured, ripened, and dried seeds of S. lychnophora. It has a purity of 99.67%. The compound is used as an analytical standard for research and analytical applications. The IUPAC name is 6-(hydroxymethyl)pyridin-3-ol. The compound is intended for research use only.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C6H7NO2
Molecular Weight
125.13
Exact Mass
125.047
CAS #
40222-77-3
PubChem CID
419490
Appearance
Yellow to brown solid
Density
1.3±0.1 g/cm3
Boiling Point
419.5±30.0 °C at 760 mmHg
Melting Point
123-125ºC
Flash Point
207.5±24.6 °C
Vapour Pressure
0.0±1.0 mmHg at 25°C
Index of Refraction
1.605
LogP
-0.54
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Heavy Atom Count
9
Complexity
87.1
Defined Atom Stereocenter Count
0
SMILES
O([H])C([H])([H])C1C([H])=C([H])C(=C([H])N=1)O[H]
InChi Key
NESFDGDRYVANBC-UHFFFAOYSA-N
InChi Code
InChI=1S/C6H7NO2/c8-4-5-1-2-6(9)3-7-5/h1-3,8-9H,4H2
Chemical Name
6-(hydroxymethyl)pyridin-3-ol
Synonyms
2-Hydroxymethyl-5-hydroxypyridine
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)
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
Solubility (In Vivo)
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.

Injection Formulations
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution.
Injection Formulation 2: DMSO : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO 400 μLPEG300 50 μL Tween 80 450 μL Saline)
Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO 900 μL Corn oil)
Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals).
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Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO 900 μL (20% SBE-β-CD in saline)]
*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.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL Saline)


Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium)
Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose
Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 7.9917 mL 39.9584 mL 79.9169 mL
5 mM 1.5983 mL 7.9917 mL 15.9834 mL
10 mM 0.7992 mL 3.9958 mL 7.9917 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:
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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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