| Size | Price | Stock | Qty |
|---|---|---|---|
| 1g |
|
||
| Other Sizes |
| Targets |
4-Deoxypyridoxine hydrochloride targets vitamin B6 metabolism as an antimetabolite. It inhibits the transport of pyridoxine and inhibits S1P lyase (SPL) activity, which degrades intracellular sphingosine-1-phosphate (S1P). By inhibiting SPL, it minimizes chemically induced apoptosis of insulinoma cell lines.
|
|---|---|
| ln Vitro |
The in vitro activity of 4-Deoxypyridoxine hydrochloride is its function as a vitamin B6 antimetabolite. The compound inhibits the transport of pyridoxine and inhibits S1P lyase (SPL) activity. By inhibiting SPL, it minimizes the chemically induced apoptosis of insulinoma cell lines. The compound can induce a deficient status that alters the function and ultrastructure of EC similar to vascular disease.
|
| ln Vivo |
In vivo, 4-Deoxypyridoxine can induce a deficient status that alters the function and ultrastructure of EC similar to vascular disease. No other significant in vivo activity has been reported as a therapeutic agent.
|
| Enzyme Assay |
In vitro enzyme assays for 4-Deoxypyridoxine hydrochloride involve measuring its inhibition of S1P lyase (SPL) activity. The compound is incubated with SPL enzyme preparations in appropriate buffer conditions, and the inhibition of S1P degradation is measured.
|
| Cell Assay |
For in vitro cellular experiments, 4-Deoxypyridoxine hydrochloride can be used to study the effects of vitamin B6 deficiency and SPL inhibition on cellular function. Insulinoma cell lines are treated with the compound to assess its effects on apoptosis.
|
| Animal Protocol |
In vivo animal experiments with 4-Deoxypyridoxine hydrochloride may be performed to study the effects of vitamin B6 deficiency on vascular function.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of 4-Deoxypyridoxine hydrochloride have not been extensively characterized, as it is a research-use biochemical reagent rather than a drug candidate. The compound has a molecular weight of 189.64 g/mol and a melting point of 263-265°C.
|
| Toxicity/Toxicokinetics |
The compound is intended for research use only and not for human therapeutic or diagnostic applications. Standard laboratory safety precautions should be observed when handling this chemical reagent.
|
| Additional Infomation |
4-Deoxypyridoxine hydrochloride is a structural analog of pyridoxine (vitamin B6) that functions as a vitamin B6 antimetabolite. It inhibits S1P lyase activity and minimizes apoptosis of insulinoma cell lines. The compound has no clinical or therapeutic applications.
|
| Molecular Formula |
C8H12CLNO2
|
|---|---|
| Molecular Weight |
189.64
|
| Exact Mass |
189.055
|
| CAS # |
148-51-6
|
| Related CAS # |
61-67-6 (Parent)
|
| PubChem CID |
67417
|
| Appearance |
White to off-white solid powder
|
| Density |
1.201g/cm3
|
| Boiling Point |
414.1ºC at 760 mmHg
|
| Melting Point |
274°C(dec.)(lit.)
|
| Flash Point |
204.2ºC
|
| Vapour Pressure |
1.34E-07mmHg at 25°C
|
| LogP |
1.698
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
12
|
| Complexity |
129
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
Cl[H].O([H])C1C(C([H])([H])[H])=NC([H])=C(C([H])([H])O[H])C=1C([H])([H])[H]
|
| InChi Key |
QZKKOQQIVLXUEI-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H11NO2.ClH/c1-5-7(4-10)3-9-6(2)8(5)11;/h3,10-11H,4H2,1-2H3;1H
|
| Chemical Name |
5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol;hydrochloride
|
| 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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO: ~7 mg/mL (~36.9 mM; with ultrasonication)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1 mg/mL (5.27 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (10.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 1 mg/mL (5.27 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 DMSO stock solution (10.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 1 mg/mL (5.27 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 DMSO stock solution (10.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.2731 mL | 26.3657 mL | 52.7315 mL | |
| 5 mM | 1.0546 mL | 5.2731 mL | 10.5463 mL | |
| 10 mM | 0.5273 mL | 2.6366 mL | 5.2731 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.
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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
