N,3,4,5-Tetrahydroxy-benzenecarboximidamide
VF 233 · TRIMIDOX · Trimidox Exclusive · MSLJYSGFUMYUDX-UHFFFAOYSA-N · N,3,4,5-TETRAHYDROXY-BENZENECARBOXIMIDAMIDE · Benzenecarboximidamide, N,3,4,5-tetrahydroxy- · 4-[amino-(hydroxyamino)methylidene]-2,6-dihydroxycyclohexa-2,5-dien-1-one
識別子と物理属性
| CAS No. | 95933-74-7 |
|---|---|
| 分子式 | C7H8N2O4 |
| 平均分子量 | 184.15 g/mol |
| 単同位体質量 | 184.04840674 g/mol |
| SMILES | NC(=NO)c1cc(O)c(O)c(O)c1 |
| InChIKey | MSLJYSGFUMYUDX-UHFFFAOYSA-N |
| PubChem CID | 73313 |
化学・物理的性質
| XLogP | 0.3 |
|---|---|
| 極性表面積 | 119 |
| 水素結合供与体数 | 5 |
| 水素結合受容体数 | 5 |
| 回転可能結合数 | 1 |
| 重原子数 | 13 |
| 形式電荷 | 0 |
| 複雑度 | 197 |
| 貯蔵条件 | Store at -20°C |
| 溶解度 | ≤20mg/ml in DMSO20mg/ml in dimethyl formamide |
| 外観・状態 | crystalline solid |
用途
説明
Ribonucleotide reductase, the rate-limiting enzyme for de novo DNA synthesis, is a common target for chemotherapy. Its increased activity in cancer cells is associated with malignant transformation and proliferation. Trimidox is a specific ribonucleotide reductase inhibitor that reduces levels of dGTP and dCTP in HL-60 cells, inducing apoptosis via activation of caspases without altering the cell cycle distribution. Trimidox inhibits growth of human promyelocytic leukemia HL-60 cells with an IC50 value of 35 μM.
使用
Trimidox is a specific ribonucleotide reductase inhibitor.