基本情報
- CAS
95933-74-7- 標準SMILES
NC(=NO)c1cc(O)c(O)c(O)c1- InChIKey
MSLJYSGFUMYUDX-UHFFFAOYSA-N- 分子式
- C7H8N2O4
- 平均分子量
- 184.15 g/mol
- 単同位体質量
- 184.04840674
概要
See also: Trimidox (preferred).
名称と識別子
- 優先名称
- N,3,4,5-Tetrahydroxy-benzenecarboximidamide
- IUPAC
- N',3,4,5-tetrahydroxybenzenecarboximidamide
- 英語名
- TRIMIDOX
- 分子式
- C7H8N2O4
- 分子量
- 184.15
名称と別名
N',3,4,5-tetrahydroxybenzene-1-carboximidamideN,3,4,5-TETRAHYDROXY-BENZENECARBOXIMIDAMIDEn,3,4,5-tetrahydroxybenzimidamideVF 233n,3,4,5-tetrahydroxybenzenecarboximidamideTrimidox - API StandardsSCHEMBL1650169SCHEMBL4168972SCHEMBL4168980N',3,4,5-tetrahydroxybenzamidineMFCD02661510DB-221433
名称をさらに表示
TRIMIDOXTrimidox ExclusiveMSLJYSGFUMYUDX-UHFFFAOYSA-NBenzenecarboximidamide, N,3,4,5-tetrahydroxy-4-[amino-(hydroxyamino)methylidene]-2,6-dihydroxycyclohexa-2,5-dien-1-one
Q271663604-[amino-(hydroxyamino)methylidene]-2,6-dihydroxy-1-cyclohexa-2,5-dienoneTrimidox, 3,4,5-Trihydroxybenzamidoxime, CCRIS 7910, AIDS088320, AIDS-088320, 3,4,5-Trihydroxybenzamidoxamic acid, VF 233, VF-233, Benzenecarboximidamide, N,3,4,5-tetrahydroxy-, CID5464467, LS-29453, C074761, 95933-74-7, TD
データベース識別子
- CAS
95933-74-7- PubChem CID
- 73313
物性
構造計算による物性
- XLogP
- 0.3
- 極性表面積
- 119 Ų
- 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
物理化学的性質
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- 20 mg/ml · ≤20mg/ml in DMSO;20mg/ml in dimethyl formamide
- 外見
- crystalline solid
化学と産業
応用分野
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.
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