| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
|
||
| Other Sizes |
|
| Targets |
Microbial Metabolite Human Endogenous Metabolite
|
|---|---|
| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion
N-methylnicotinamide is excreted in the urine. |
| Additional Infomation |
N-methylnicotinamide is a pyridinecarboxamide that is nicotinamide in which one of the amide hydrogens is substituted by a methyl group. It has a role as a metabolite. It is functionally related to a nicotinamide.
N-methylnicotinamide is an experimental drug with no approved indication or marketed formulation. It is a metabolite of niacinamide/nicotinamide and niacin/nicotinic acid (vitamin B3), and as such N-methylnicotinamide is used to diagnose niacin deficiency by measuring N-methylnicotinamide in the urine. Drug Indication N-methylnicotinamide is an experimental drug with no approved indication. |
| Molecular Formula |
C7H8N2O
|
|---|---|
| Molecular Weight |
136.15
|
| Exact Mass |
136.064
|
| CAS # |
114-33-0
|
| Related CAS # |
N-Methylnicotinamide-d4;2708278-64-0
|
| PubChem CID |
64950
|
| Appearance |
White to off-white solid powder
|
| Density |
1.106 g/cm3
|
| Boiling Point |
347.7ºC at 760 mmHg
|
| Melting Point |
102-105 °C(lit.)
|
| Flash Point |
164.1ºC
|
| Vapour Pressure |
5.3E-05mmHg at 25°C
|
| Index of Refraction |
1.529
|
| LogP |
0.832
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
10
|
| Complexity |
125
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C(C1=C([H])N=C([H])C([H])=C1[H])N([H])C([H])([H])[H]
|
| InChi Key |
ZYVXHFWBYUDDBM-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10)
|
| Chemical Name |
N-methylpyridine-3-carboxamide
|
| 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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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: 250 mg/mL (1836.21 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.17 mg/mL (15.94 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 21.7 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: ≥ 2.17 mg/mL (15.94 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 21.7 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. View More
Solubility in Formulation 3: ≥ 2.17 mg/mL (15.94 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.3448 mL | 36.7242 mL | 73.4484 mL | |
| 5 mM | 1.4690 mL | 7.3448 mL | 14.6897 mL | |
| 10 mM | 0.7345 mL | 3.6724 mL | 7.3448 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.
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