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1,3-Dimethyl-8-phenylxanthine
产品别名
961-45-5
1,3-Dimethyl-8-phenylxanthine
8-Phenyltheophylline
结构式
基本信息
| Empirical Formula【经验(实验)分子式】 | C13H12N4O2 |
| Molecular weight | 256.26 |
| Beilstein | 261704 |
| MDL number | MFCD00005582 |
| PubChem Substance ID【PubChem化学物质编号】 | 24278626 |
| NACRES | NA.77 |
| Biochem/physiol Actions【生化/生理作用】 | Selective A1 adenosine receptor antagonist. |
产品性质
| form【形式】 | crystalline |
| potency【效能】 | 86 nM Ki for A1 receptors |
| color【颜色】 | off-white to light yellow |
| mp | >300 ℃ (lit.) |
| solubility【溶解性】 | H2O: slightly soluble aqueous base: moderately soluble (Solutions should be stored at 4 ℃.) ethanol: moderately soluble (Solutions should be stored at 4 ℃.) |
| SMILES string | CN1C(=O)N(C)c2nc([nH]c2C1=O)-c3ccccc3 |
| InChI | 1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15) |
| InChI key | PJFMAVHETLRJHJ-UHFFFAOYSA-N |
| Gene Information | human ... ADORA1(134), ADORA2B(136), ADORA3(140) rat ... Adora1(29290), Adora2a(25369), Adora2b(29316) |
| packaging【包装】 | 1 g in glass bottle 100 mg in glass insert |
安全信息
| Storage Class Code【储存分类代码】 | 11 - Combustible Solids |
| WGK | WGK 3 |
| Personal Protective Equipment【个人防护装备】 | Eyeshields, Gloves, type N95 (US) |
