HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Deoxyuridine Triphosphate
DUTP · 2'-dUTP · 2’dUTP,3Na · dUTP.Na3 · -C-βAids052149 · Aids-052149 · -Deoxy-β-Epi 2&rsquo
Identifikatoren & physikalische Daten
| CAS No. | 102814-08-4 |
|---|---|
| Summenformel | C9H15N2O14P3 |
| Durchschnittliche Molmasse | 468,14 g/mol |
| Monoisotopische Masse | 467,97361305 g/mol |
| SMILES | O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1 |
| InChIKey | AHCYMLUZIRLXAA-SHYZEUOFSA-N |
| PubChem CID | 65070 |
| ChEMBL | CHEMBL374361 |
| ChEBI | CHEBI:17625 |
| DTXSID | DTXSID60908053 |
Chemische & physikalische Eigenschaften
| XLogP | -5,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 239 |
| H-Brücken-Donoren | 6 |
| H-Brücken-Akzeptoren | 14 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 28 |
| Formalladung | 0 |
| Komplexität | 808 |
| Stoffklassen | Biological Agents -> Nucleic Acids and Derivatives |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Physical Description | Solid |
| Collision Cross Section | 188.9 Ų [M+Na-2H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]188.9 Ų [M-2H+Na]- |
| Schmelzpunkt | >150o C (Dec.) |
| Lagerbedingungen | -20°C |
| Löslichkeit | Methanol (Slightly), Water (Slightly)Soluble in water. |
| Aggregatzustand | Powder |
| Farbe | White |
| Biologische Quelle | synthetic (organic) |
| Stabilität | Hygroscopic |
| InChIKey | FVFWWPFKJNTHIQ-BAJMBWAYNA-N |
| SMILES | O=C1NC(=O)C=CN1[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1.[NaH] |&1:8,10,12,r| |
Sicherheit & Vorschriften
| Toxizitätsübersicht | Deoxyuridine triphosphate (dUTP) can be misincorporated into DNA and cause DNA damage. The extent of DNA damage caused by dUTP is dependent on the levels of the pyrophosphatase dUTPase and uracil-DNA glycosylase (UDG). DNA damage due to dUTP misincorporation is highly dependent on the levels of the pyrophosphatase dUTPase, which limits intracellular accumulation of dUTP. (A4337) Also, loss of viability following thymidylate synthase (TS) inhibition occurs as a consequence of accumulation of dUTP in some cell lines and subsequent misincorporation of uracil into DNA. (PMCID: PMC2364072) |
|---|---|
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| Wassergefährdungsklasse (WGK) | 1 |
| Zollcode | 29349990 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2'-Deoxyuridine-5'-triphosphate trisodium salt may be used to study the distribution, specificity and kinetics of deoxyuridine 5′-triphosphate nucleotidohydrolase(s). 2'-Deoxyuridine-5'-triphosphate trisodium salt is important enzymes that protect cells from the incorporation of dUTP into DNA.