3,8-diamino-5-{3-[(2-{[3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl]amino}ethyl)amino]propyl}-6-phenylphenanthridin-5-ium dichloride dihydrochloride

• ChemBase编号: 156075
• 分子式: C46H50Cl4N8
• 平均质量: 856.7548
• 单一同位素质量: 854.29125436
• SMILES: c1ccc(cc1)c1c2cc(ccc2c2ccc(cc2[n+]1CCCNCCNCCC[n+]1c2cc(ccc2c2ccc(cc2c1c1ccccc1)N)N)N)N.Cl.Cl.[Cl-].[Cl-]
• Canonical SMILES: Nc1ccc2c(c1)[n+](CCCNCCNCCC[n+]1c(c3ccccc3)c3cc(N)ccc3c3c1cc(N)cc3)c(c1c2ccc(c1)N)c1ccccc1.Cl.Cl.[Cl-].[Cl-]
• InChI: InChI=1S/C46H46N8.4ClH/c47-33-13-17-37-39-19-15-35(49)29-43(39)53(45(41(37)27-33)31-9-3-1-4-10-31)25-7-21-51-23-24-52-22-8-26-54-44-30-36(50)16-20-40(44)38-18-14-34(48)28-42(38)46(54)32-11-5-2-6-12-32;;;;/h1-6,9-20,27-30,49-52H,7-8,21-26,47-48H2;4*1H
• InChIKey: ZKAJUKABUUJRLB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,8-diamino-5-{3-[(2-{[3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl]amino}ethyl)amino]propyl}-6-phenylphenanthridin-5-ium dichloride dihydrochloride
• IUPAC传统名: 3,8-diamino-5-{3-[(2-{[3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl]amino}ethyl)amino]propyl}-6-phenylphenanthridin-5-ium dichloride dihydrochloride
• 别名: EtDi; EthD-1; Ethidium homodimer; Phenanthridinium, 5,5′-[1,2-ethanediylbis(imino-3,1-propanediyl)]bis(3, 8-diamino-6-phenyl)-,dichloride,dihydrochloride; Ethidium homodimer I solution

登记号

• CAS号: 61926-22-5
• EC号: 263-325-9; 200-664-3
• MDL号: MFCD00210948
• PubChem SID: 162250213; 24894444; 24869695
• PubChem CID: 12328897

理论计算性质

• 质子受体: 6
• 质子供体: 6
• LogD (pH = 5.5): -7.580555
• LogD (pH = 7.4): -5.394448
• Log P: -3.3205438
• 摩尔折射率: 227.7084 cm^3
• 极化性: 93.361855 Å^3
• 极化表面积: 135.9 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: red
• 熔点: ≥250 °C(lit.)
• 闪点: 185 °F; 85 °C
• 荧光: λex 528 nm; λem 617 nm in TE buffer; DNA

安全信息

• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 德国WGK号: 1; 3
• 危险公开号: 14-34-40
• 安全公开号: 26-36/37/39-45
• GHS危险品标识: GHS08
• GHS警示词: Danger
• GHS危险声明: H261-H314-H351
• GHS警示性声明: P231 + P232-P280-P305 + P351 + P338-P310-P422
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• 保存温度: -20°C

产品相关信息

• 纯度: ~90% (HPCE); ≥95%
• 浓度: 2 mM in DMSO
• 适用性: suitable for fluorescence
• Empirical Formula (Hill Notation): C46H50Cl4N8

详细说明

Sigma Aldrich - 46043

Application
Staining dye for ssDNA, dsDNA, RNA, oligonucleotides, and triplex DNA. It will not cross intact cell membranes and can be used to test cell viability.
Other Notes
Reagent for the fluorimetric detection of nucleic acids1

Sigma Aldrich - E1903

Application
Stains ssDNA, dsDNA, RNA, oligonucleotides, and triplex DNA structures.
Used to detect DNA in solution.
Biochem/physiol Actions
One molecule of EthD-1 will non-selectively bind four base pairs in dsDNA.