3-Carbamyl-1-methylpyridinium Chloride
1-METHYLNICOTINAMIDE CHLORIDE · TRIA-662 · Trionellamide chloride · TRIGONELLAMIDE CHLORIDE · TRIA-662, 10 mM in DMSO · Nicotinamide Impurity F · nicotinamidemethochloride · nipecotamidemethochloride
Identifikatoren & physikalische Daten
| CAS No. | 1005-24-9 |
|---|---|
| Summenformel | C7H9ClN2O |
| Durchschnittliche Molmasse | 172,61 g/mol |
| Monoisotopische Masse | 172,0403406 g/mol |
| SMILES | C[n+]1cccc(C(N)=O)c1.[Cl-] |
| InChIKey | BWVDQVQUNNBTLK-UHFFFAOYSA-N |
| PubChem CID | 70495 |
| ChEMBL | CHEMBL1209652 |
| EC No. | 463-670-7 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 47 |
|---|---|
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 136 |
| Schmelzpunkt | 207-209℃ (water acetone ) |
| Lagerbedingungen | room temp |
| Löslichkeit | H2O: soluble15mg/mL, clearalmost transparency |
| Aggregatzustand | crystalline |
| Farbe | white |
| Merck | 14,9693 |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONINGSKIN PROTECTING |
| InChI | 1S/C7H8N2O.ClH/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10) |
| InChIKey | BWVDQVQUNNBTLK-UHFFFAOYSA-N |
| SMILES | Cl.[n+]1(cc(ccc1)C(=N)[O-])C |
| CAS Datenbank | 1005-24-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
|---|---|
| Regulatorische Informationen | Regulation (EC) No 178/2002 (amended)REACH registered substance: 3-Carbamyl-1-methylpyridinium Chloride (EC: 463-670-7) |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933.39.9200 |
| RTECS-Nr. | UU1925000 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
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.
Verwenden
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.