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7-beta-D-Ribofuranosyl-7H-pyrrolo-(2,3-d)pyrimidin-4-amin
(2R,3R,4S,5R)-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol · 7-DEAZAADENOSINE · b120121 · u-10071 · CS-2599 · nsc56408 · ski26996 · TUBERCIDIN
Identifikatoren & physikalische Daten
| CAS No. | 69-33-0 |
|---|---|
| Summenformel | C11H14N4O4 |
| Durchschnittliche Molmasse | 266,25 g/mol |
| Monoisotopische Masse | 266,10150494 g/mol |
| SMILES | Nc1ncnc2c1ccn2C1OC(CO)C(O)C1O |
| InChIKey | HDZZVAMISRMYHH-UHFFFAOYSA-N |
| PubChem CID | 5604 |
| DTXSID | DTXSID60861614 |
| Lokaler Name | 7-beta-D-Ribofuranosyl-7H-pyrrolo-(2,3-d)pyrimidin-4-amin |
Chemische & physikalische Eigenschaften
| XLogP | -1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 127 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 334 |
| Schmelzpunkt | 247-248 °C (decomp)(Solv: water (7732-18-5)) |
| Siedepunkt | 409.46°C (rough estimate) |
| Dichte | 1.2896 (rough estimate) |
| Brechungsindex | 1.8340 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Soluble in DMSO |
| Aggregatzustand | powder |
| pKa (Säurekonstante) | 12.44±0.70(Predicted) |
| Farbe | off-white |
| Merck | 13,9875 |
| BRN | 38498 |
| Stabilität | Hygroscopic |
| InChIKey | HDZZVAMISRMYHH-UIRWVKCDSA-N |
| CAS Datenbank | 69-33-0 |
Sicherheit & Vorschriften
| F | 10 |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3462 6.1/PG 2 |
| Zollcode | 29419090 |
| RTECS-Nr. | UY8870000 |
| R-Sätze (R) | 28 |
| Toxizität | LD50 i.v. in mice: 45 mg/kg (Anzai) |
| Gefahrensymbole | T+ |
| Sicherheitshinweise (S) | 36/37/39-45 |
| Gefahrenklasse | 6.1(a) |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Verwenden
Tubercidin is a nucleoside metabolite first isolated from Streptomyces tubericidus. Tubercidin, like other nucleosides, is a broad spectrum, potent chemotherapeutic agent active against viruses, bacteria, fungi, protozoans and tumours. Tubercidin acts at a diverse range of sites, such as RNA processing, nucleic acid and protein synthesis, and acts as a nucleoside mimic of adenosine.