HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-(Hydroxymethyl)cytosine
5hmC · HM-cytosine · 5-HYDROXYMETHYLCYTOS · 5-Hydroxymethylcytosine · HM-cytosine, 10 mM in DMSO · 5-Hydroxymethylcytosinefreebase · 6-amino-5-methylol-1H-pyrimidin-2-one · 4-amino-5-methylol-3H-pyrimidin-2-one
Identifikatoren & physikalische Daten
| CAS No. | 1123-95-1 |
|---|---|
| Summenformel | C5H7N3O2 |
| Durchschnittliche Molmasse | 141,13 g/mol |
| Monoisotopische Masse | 141,05382648 g/mol |
| SMILES | Nc1[nH]c(=O)ncc1CO |
| InChIKey | RYVNIFSIEDRLSJ-UHFFFAOYSA-N |
| PubChem CID | 70751 |
| ChEBI | CHEBI:76792 |
| DTXSID | DTXSID70149990 |
Chemische & physikalische Eigenschaften
| XLogP | -1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 87,7 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 219 |
| Schmelzpunkt | >299.85°C |
| Siedepunkt | 258.15°C (rough estimate) |
| Dichte | 1.3818 (rough estimate) |
| Brechungsindex | 1.6190 (estimate) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Löslichkeit | DMSO (Sparingly), Methanol (Slightly, Heated, Sonicated) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 8.61±0.10(Predicted) |
| Farbe | Pale Yellow to Beige |
| Hauptanwendungen | cell analysisclinical researchgeneral analyticallife science and biopharmametabolomics |
| InChI | InChI=1S/C5H7N3O2/c6-4-3(2-9)1-7-5(10)8-4/h1,9H,2H2,(H3,6,7,8,10) |
| InChIKey | RYVNIFSIEDRLSJ-UHFFFAOYSA-N |
| SMILES | OCC1=CNC(N=C1N)=O |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Zollcode | 29335990 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
5-(Hydroxymethyl)cytosine is a DNA pyrimidine nitrogen base.It may regulate gene expression or prompt DNA demethylation. 5-Hydroxymethylcytosine may be especially important in the central nervous system, as it is found in very high levels there.