3-Carbamyl-1-methylpyridinium chloride

Base Information

• Chemical Name: 3-Carbamyl-1-methylpyridinium chloride
• CAS No.: 1005-24-9
• Molecular Formula: C7H9 N2 O . Cl
• Molecular Weight: 172.614
• Hs Code.: 2933399090
• European Community (EC) Number: 463-670-7,686-866-6,686-868-7,686-869-2
• UNII: L54XNJ1D5G
• Wikidata: Q27282725
• ChEMBL ID: CHEMBL1209652
• Mol file: 1005-24-9.mol

Synonyms:1-methyl-3-carbamoylpyridinium;1-methylnicotinamide;3-(aminocarbonyl)-1-methylpyridinium;N(1)-methylnicotinamide;N(1)-methylnicotinamide bromide;N(1)-methylnicotinamide chloride;N(1)-methylnicotinamide cyanide;N(1)-methylnicotinamide fluoride;N(1)-methylnicotinamide iodide;N(1)-methylnicotinamide iodide, 3-(aminocarbonyl-13C)-labeled;N(1)-methylnicotinamide methylsulfate;N(1)-methylnicotinamide perchlorate;N(1)-methylnicotinamide tetrafluoroborate (1-);N1-methylnicotinamide;pyridinium, 3-(aminocarbonyl)-1-methyl-;trigonellamide chloride;trigonellinamide

Chemical Property of 3-Carbamyl-1-methylpyridinium chloride

Chemical Property:

• Appearance/Colour: crystalline ,white
• Melting Point: 207-209℃ (water acetone )
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 46.97000
• Density: g/cm³
• LogP: -2.68570
• Storage Temp.: room temp
• Solubility.: H2O: soluble15mg/mL, clear
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 172.0403406
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

98% ^*data from raw suppliers

1-Methylnicotinamide Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C[N+]1=CC=CC(=C1)C(=O)N.[Cl-]
• Recent ClinicalTrials: The Safety of a Hypolipidemic Agent in Healthy Normal Volunteers
• Description: Nicotinamide is a precursor of NAD and NADP , which serve essential functions in modulating cellular redox status and controlling signaling and transcriptional events. 1-Methylnicotinamide (MNA) is a primary metabolite of nicotinamide produced by the action of nicotinamide N-methyltransferase (NNMT; ). It demonstrates antithrombotic and anti-inflammatory properties through direct action on the endothelium by a mechanism involving the prostacyclin pathway and by improving nitric oxide bioavailability. Aggressive cancer cell lines are reported to have higher levels of MNA due to increased NNMT-directed transfer of methyl groups from S-adenosyl-L-methionine to nicotinamide, implicating a role for MNA in cancer cell metabolism.
• Uses: 1-Methylnicotinamide chloride may be used as a standard in the quantification of 1-methylnicotinamide in urine samples using ion pairing reverse-phase high performance liquid chromatography (RP-HPLC). Nicotinamide is a precursor of NAD and NADP , which serve essential functions in modulating cellular redox status and controlling signaling and transcriptional events. 1-Methylnicotinamide (MNA) is a primary metabolite of nicotinamide produced by the action of nicotinamide N-methyltransferase (NNMT; ). It demonstrates antithrombotic and anti-inflammatory properties through direct action on the endothelium by a mechanism involving the prostacyclin pathway and by improving nitric oxide bioavailability. Aggressive cancer cell lines are reported to have higher levels of MNA due to increased NNMT-directed transfer of methyl groups from S-adenosyl-L-methionine to nicotinamide, implicating a role for MNA in cancer cell metabolism.

Technology Process of 3-Carbamyl-1-methylpyridinium chloride

There total 4 articles about 3-Carbamyl-1-methylpyridinium chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

N-methylnicotineamide iodide (6456-44-6) → 1-methylnicotinamide chloride (1005-24-9)

Guidance literature:

With water; silver(I) chloride;

DOI:10.1002/hlca.193601901112

Reference yield:

nicotinamide (98-92-0,1255150-40-3) → 1-methylnicotinamide chloride (1005-24-9)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol / 20 °C

2: AgCl / H₂O

With silver(I) chloride; In methanol; water;

DOI:10.1021/jp035803y

Reference yield:

4-cyano-1,4-dihydro-N-methylpyridine-3-carboxamide (19432-60-1) → sodium cyanide (143-33-9,25596-52-5) + 1-methylnicotinamide chloride (1005-24-9)

Guidance literature:

at 25 ℃; Equilibrium constant; reaction in reversed-micellar system H₂O/ HTAB/ CHCl₃-isooctane, diff. molar ratios H₂O/ HTAB, other temp.;

DOI:10.1039/P29900000073

upstream raw materials:

N-methylnicotineamide iodide

4-cyano-1,4-dihydro-N-methylpyridine-3-carboxamide

nicotinamide

Downstream raw materials:

1-methyl-1,4-dihydronicotinamide

1,6-dihydro-6-imino-1-methyl-3-pyridinecarboxamide

trigonelline hydrochloride

1-methyl-2-pyridone-5-carboxamide

Refernces

• 1、 Wenkert,Dave,Haglid,Lewis,Oishi,Stevens,Terashima. "Tetrahydropyridines.". . p. 747 - 753. Retrieved 1968.
• 2、 Karrer et al.. "-". . p. 811,825. Retrieved 1936.