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2',3'-Didesoxyadenosin
DDA · 2',3'-DIDEOXYADENOSINE · NSC 98700 · 2',3'-ddA · DIDEOXYADENOSINE · Didanosin EP Imp G · DDA, antiviral drug · 2’,3’-dideoxy-adenosin
Identifikatoren & physikalische Daten
| CAS No. | 4097-22-7 |
|---|---|
| Summenformel | C10H13N5O2 |
| Durchschnittliche Molmasse | 235,24 g/mol |
| Monoisotopische Masse | 235,10692467 g/mol |
| SMILES | Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1 |
| InChIKey | WVXRAFOPTSTNLL-NKWVEPMBSA-N |
| PubChem CID | 20039 |
| ChEMBL | CHEMBL14925 |
| ChEBI | CHEBI:91207 |
| EC No. | 223-853-2 |
| DTXSID | DTXSID2023771 |
| Lokaler Name | 2',3'-Didesoxyadenosin |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 99,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 279 |
| Löslichkeit | 10 to 50 mg/mL at 68 °F (NTP, 1992)H2O 3.4-5.1 (mg/mL)Buffer, pH4 4.8-9.6 (mg/mL)Buffer, pH9 3.2-4.8 (mg/mL)EtOH 1.6-2.0 (mg/mL)DMA 2.6-3.4 (mg/mL)DMF: 1 mg/mLDMSO: 2 mg/mLEthanol: Slightly soluble43.2g/L(25 ºC) |
| Schmelzpunkt | 358 to 363 °F (NTP, 1992)181-184 °C(lit.) |
| Optical Rotation | (c = 1 , H2O) [a]25 D = -28 ± 2° |
| Physical Description | 2',3'-dideoxyadenosine is an off-white powder. (NTP, 1992) |
| Stability/Shelf Life | Bulk: 2',3'-Dideoxyadenosine is stable as a bulk chemical for at least 6 weeks at room temperature and 45 °C, under light or dark conditions. Solution: DDA was stable as a 0.1 mg/mL water solution for at least 23 hrs at room temperature. |
| Siedepunkt | 377.64°C (rough estimate) |
| Dichte | 1.2455 (rough estimate) |
| Brechungsindex | -34 ° (C=1, H2O) |
| Lagerbedingungen | -20°C |
| pKa (Säurekonstante) | pKa 3.84(H2O t=25.0±0. I=0.01) (Uncertain) |
| Aggregatzustand | Powder |
| Farbe | White to Off-white |
| Merck | 14,3101 |
| BRN | 619924 |
| InChI | 1S/C10H13N5O2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3-16)17-7/h4-7,16H,1-3H2,(H2,11,12,13)/t6-,7+/m0/s1 |
| InChIKey | WVXRAFOPTSTNLL-NKWVEPMBSA-N |
| SMILES | Nc1ncnc2n(cnc12)[C@H]3CC[C@@H](CO)O3 |
| CAS Datenbank | 4097-22-7(CAS DataBase Reference) |
| EPA chemische Informationen | Adenosine, 2',3'-dideoxy- (4097-22-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H341 (50%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Brandgefahren | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to a related compound include cutaneous eruptions, fever, mouth sores, thrombocytopenia, neutropenia, reversible peripheral neuropathy, gastrointestinal distress, headache, nausea and vomiting. (NTP, 1992) |
| Reaktive Gruppe | Alcohols and PolyolsAmines, Phosphines, and PyridinesEthers |
| Reactivity Profile | 2',3'-DIDEOXYADENOSINE may be sensitive to prolonged exposure to light. |
| Air and Water Reactions | Water soluble. |
| Hazard Classes and Categories | Muta. 2 (50%) |
| Brandbekämpfung | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
Anwendungen & Verwendung
Verwenden
2′,3′-Dideoxyadenosine (ddA), a specific adenylyl cyclase inhibitor, is useful in biological process and pathway studies involving adenylyl cyclase activity and cAMP pool modulation.