(-)-ベンゾマルビンA
(-)-ベンゾマルビンA · 6-メチル-7β-ベンジル-6,7-ジヒドロキナゾリノ[3,2-a][1,4]ベンゾジアゼピン-5,13-ジオン · ベンゾマルビンA · (7S)-6-メチル-7β-ベンジル-6,7-ジヒドロキナゾリノ[3,2-a][1,4]ベンゾジアゼピン-5,13-ジオン · benzomalvin A · Quinazolino[3,2-a][1,4]benzodiazepine-5,13-dione, 6,7-dihydro-6-methyl-7-(phenylmethyl)-, (6S,7S)-
識別子と物理属性
| CAS No. | 157047-96-6 |
|---|---|
| 分子式 | C24H19N3O2 |
| 平均分子量 | 381.4 g/mol |
| 単同位体質量 | 381.14772686 g/mol |
| SMILES | CN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)C1Cc1ccccc1 |
| InChIKey | YYWUABJYAOCACI-UHFFFAOYSA-N |
| PubChem CID | 190863 |
| DTXSID | DTXSID90935599 |
| 現地名 | (-)-ベンゾマルビンA |
化学・物理的性質
| XLogP | 3.7 |
|---|---|
| 極性表面積 | 53 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 2 |
| 重原子数 | 29 |
| 形式電荷 | 0 |
| 複雑度 | 684 |
| 沸点 | 599.3±60.0 °C(Predicted) |
| 密度 | 1.28±0.1 g/cm3(Predicted) |
| 貯蔵条件 | Store at -20°C |
| 溶解度 | DMF: SolubleDMSO: SolubleEthanol: SolubleMethanol: Soluble |
| 外観・状態 | A solid |
| pKa（酸解離定数） | -0.46±0.40(Predicted) |
用途
説明
Benzomalvin A is a fungal metabolite produced by Penicillium. It inhibits yeast α-glucosidase in vitro (IC50 = 383.2 μM). In vivo, benzomalvin A (3.1-31.6 mg/kg) decreases plasma glucose levels in mice following administration of sucrose. It also decreases the plasma glucose postprandial peak in nicotinamide-streptozotocin-induced hyperglycemic mice when administered at a dose of 10 mg/kg. Benzomalvin A also acts as an antagonist of neurokinin-1 (NK1) receptors, inhibiting binding of substance P to guinea pig, rat, and human NK1 (Kis = 12, 42, and 43 μM, respectively).