HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
9-β-D-Ribofuranosyl-9H-purin
6-deaMinoadenosine · NSC65423 · NEBULARINE · Purinosine · ribosylpurine · ribosyl-purin · PURINE RIBOSIDE · Nebularine (NEB)
Identifikatoren & physikalische Daten
| CAS No. | 550-33-4 |
|---|---|
| Summenformel | C10H12N4O4 |
| Durchschnittliche Molmasse | 252,23 g/mol |
| Monoisotopische Masse | 252,08585486 g/mol |
| SMILES | OC[C@H]1O[C@@H](n2cnc3cncnc32)[C@H](O)[C@@H]1O |
| InChIKey | MRWXACSTFXYYMV-FDDDBJFASA-N |
| PubChem CID | 68368 |
| ChEMBL | CHEMBL1399702 |
| ChEBI | CHEBI:18255 |
| EC No. | 208-981-9 |
| DTXSID | DTXSID701015580 |
| Lokaler Name | 9-β-D-Ribofuranosyl-9H-purin |
Chemische & physikalische Eigenschaften
| XLogP | -0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 114 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 308 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 181-182°C |
| Siedepunkt | 395.4°C (rough estimate) |
| Dichte | 1.3402 (rough estimate) |
| Brechungsindex | 1.6500 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO (Slightly), Ethanol, Methanol (Slightly) |
| pKa (Säurekonstante) | 13.13±0.70(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Pale Beige to Beige |
| Merck | 13,6461 |
| Stabilität | Hygroscopic |
| InChI | InChI=1/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/s3 |
| InChIKey | MRWXACSTFXYYMV-DOGWMMLDNA-N |
| SMILES | N1(C=NC2C=NC=NC1=2)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)O1 |&1:9,10,12,14,r| |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 9H-Purine, 9-.beta.-D-ribofuranosyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| RTECS-Nr. | UO9100000 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | LD50 in rats, guinea pigs (mg/kg): 220, 15 s.c. (Truant, D'Amato) |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
Anwendungen & Verwendung
Beschreibung
This purine base is produced by Agarius nebularis Batsch. (Syn. Clitocybe nebularis). It is laevorotatory with [α]25D - 48.6° (c 1.0, H20).
Verwenden
Nebularine is shown to have inhibitory effects against mouse Sarcoma 180 and mycobacteria.