3-Hydroxy-5-hydroxymethyl-2,4-dimethylpyridiniumchlorid
Deoxypyridoxine hydrochloride · nsc3063 · 4-DEOXYPYRIDOXINE HCL · Vitamin B6 Impurity B · Pyridoxine Impurity B · Vitamin B6 Impurity 2 · DEOXYPYRIDOXINE, 4- HCL · Pyridoxine EP Impurity B
Identifikatoren & physikalische Daten
| CAS No. | 148-51-6 |
|---|---|
| Summenformel | C8H12ClNO2 |
| Durchschnittliche Molmasse | 189,64 g/mol |
| Monoisotopische Masse | 189,0556563 g/mol |
| SMILES | Cc1ncc(CO)c(C)c1O.Cl |
| InChIKey | QZKKOQQIVLXUEI-UHFFFAOYSA-N |
| PubChem CID | 67417 |
| EC No. | 205-714-8 |
| DTXSID | DTXSID40163860 |
| Lokaler Name | 3-Hydroxy-5-hydroxymethyl-2,4-dimethylpyridiniumchlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 53,4 |
|---|---|
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 129 |
| Schmelzpunkt | 274°C(dec.)(lit.) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | DMSO (Slightly, Heated), Methanol (Slightly, Heated) |
| Aggregatzustand | Solid |
| Farbe | White to Pale Red |
| Biologische Quelle | synthetic (organic) |
| Stabilität | Hygroscopic |
| Hauptanwendungen | forensics and toxicologyveterinaryvitamins, nutraceuticals, and natural products |
| InChI | 1S/C8H11NO2.ClH/c1-5-7(4-10)3-9-6(2)8(5)11/h3,10-11H,4H2,1-2H3 |
| InChIKey | QZKKOQQIVLXUEI-UHFFFAOYSA-N |
| SMILES | Cl.Cc1ncc(CO)c(C)c1O |
| CAS Datenbank | 148-51-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333990 |
| RTECS-Nr. | UT4800000 |
| Toxizität | LD50 oral in chicken: 1570mg/kg |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
4-deoxy Pyridoxine (DOP) is a vitamin B6 antimetabolite with diverse biological activities. It inhibits transport of pyridoxine , pyridoxal, and pyridoxamine in and reduces growth of S. carlsbergensis cells. DOP inhibits sphingosine-1-phosphate (S1P) lyase and reduces cyclic stretch-induced apoptosis in alveolar epithelial MLE-12 cells. DOP (5 mg, i.p.) reduces lysyl oxidase activity by 26% and reduces collagen and elastin crosslinking, resulting in limb abnormalities in chick embryos. It decreases latency to first seizure in mice (ED50 = 1 mmol/kg) and increases the occurrence and duration of myoclonic responses in baboons with photosensitive epilepsy. DOP reduces TNF-α and IL-6 production in mice infected with T. spiralis.
Verwenden
4-Deoxypyridoxine is the deoxy analogue of Pyridoxine (P991735). 4-Deoxypyridoxine is a vitamin B6 antimetabolite; 4-Deoxypyridoxine can induce a deficient status that alters the function and ultrastructure of EC similar to vascular disease.