化工社化工社 化学情報印刷レポート · 研究参考用
2',3'-ジデオキシアデノシン
2',3'-ジデオキシアデノシン · ジデオキシアデノシン · 9-[[(2R)-5β-(ヒドロキシメチル)テトラヒドロフラン]-2β-イル]-9H-プリン-6-アミン · 6-アミノ-9-(2,3-ジデオキシ-β-D-リボフラノシル)-9H-プリン · 9-(2,3-ジデオキシ-β-D-glycero-ペントフラノシル)-9H-プリン-6-アミン · 9-(2,3-ジデオキシ-β-D-リボフラノシル)アデニン · DIDANOSINE RELATED COMPOUND B (2',3'-ジデオキシアデノシン) · 2′,3′-ジデオキシアデノシン
識別子と物理属性
| CAS No. | 4097-22-7 |
|---|---|
| 分子式 | C10H13N5O2 |
| 平均分子量 | 235.24 g/mol |
| 単同位体質量 | 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 |
| 現地名 | 2',3'-ジデオキシアデノシン |
化学・物理的性質
| XLogP | -0.2 |
|---|---|
| 極性表面積 | 99.1 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 6 |
| 回転可能結合数 | 2 |
| 重原子数 | 17 |
| 形式電荷 | 0 |
| 複雑度 | 279 |
| 溶解度 | 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℃) |
| 融点 | 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. |
| 比旋光度 | D25 -25.2° (c = 1.01 in water) |
| 沸点 | 377.64°C (rough estimate) |
| 密度 | 1.2455 (rough estimate) |
| 屈折率 | -34 ° (C=1, H2O) |
| 貯蔵条件 | -20°C |
| pKa（酸解離定数） | pKa 3.84(H2O t=25.0±0. I=0.01) (Uncertain) |
| 外観・状態 | 粉 |
| 色 | ホワイトからオフホワイト |
| 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 データベース | 4097-22-7(CAS DataBase Reference) |
| EPAの化学物質情報 | Adenosine, 2',3'-dideoxy- (4097-22-7) |
化学的特性
Beige power
安全性と法規制
| GHS 分類 | 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. |
|---|---|
| 火災危険 | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| 健康有害性 | 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) |
| 反応性グループ | 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%) |
| 消火 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 応急処置 | 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. |
用途
使用
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.
一般的な説明
Off-white powder.