3-amino-8-azido-5-ethyl-6-phenylphenanthridin-5-ium bromide

• ChemBase编号: 158627
• 分子式: C21H18BrN5
• 平均质量: 420.30512
• 单一同位素质量: 419.0745576
• SMILES: CC[n+]1c2cc(ccc2c2ccc(cc2c1c1ccccc1)N=[N+]=[N-])N.[Br-]
• Canonical SMILES: [N-]=[N+]=Nc1ccc2c(c1)c(c1ccccc1)[n+](c1c2ccc(c1)N)CC.[Br-]
• InChI: InChI=1S/C21H17N5.BrH/c1-2-26-20-12-15(22)8-10-18(20)17-11-9-16(24-25-23)13-19(17)21(26)14-6-4-3-5-7-14;/h3-13,22H,2H2,1H3;1H
• InChIKey: GHUXAYLZEGLXDA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-amino-8-azido-5-ethyl-6-phenylphenanthridin-5-ium bromide
• IUPAC传统名: 3-amino-8-azido-5-ethyl-6-phenylphenanthridin-5-ium bromide
• 别名: 3-Amino-8-azido-5-ethyl-6-phenylphenanthridinium bromide; Ethidium monoazide bromide; Ethidium bromide monoazide

登记号

• CAS号: 58880-05-0
• MDL号: MFCD01708677
• PubChem SID: 162252763
• PubChem CID: 2762649

理论计算性质

• Acid pKa: 18.710388
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.22198655
• LogD (pH = 7.4): 0.22199202
• Log P: 0.33603773
• 摩尔折射率: 107.5847 cm^3
• 极化性: 42.825974 Å^3
• 极化表面积: 59.33 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMF: soluble; ethanol: soluble
• 外观: orange solid

安全信息

• RTECS编号: SF7941850
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥95% (HPLC)
• Empirical Formula (Hill Notation): C21H18BrN5

详细说明

Sigma Aldrich - E2028

Biochem/physiol Actions
Photoactive stain covalently binds to nucleic acids in solution and in cells with damaged membranes.
Used to footprint drug binding sites on DNA, detect non-viable cells, identify ethidium binding sites on DNA and tRNA, and selectively inactivate gene expression.
包装
5 mg in glass bottle