2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1,4-dihydroquinazolin-2-yl]-1,4-dihydroquinazoline trihydrochloride

• ChemBase ID: 130884
• Molecular Formular: C29H35Cl3N6O
• Molecular Mass: 589.9868
• Monoisotopic Mass: 588.19379281
• SMILES: CCOc1ccc(cc1)C1=NCc2cc(ccc2N1)C1=NCc2cc(ccc2N1)N1CCN(CC1)C.Cl.Cl.Cl
• Canonical SMILES: CCOc1ccc(cc1)C1=NCc2c(N1)ccc(c2)C1=NCc2c(N1)ccc(c2)N1CCN(CC1)C.Cl.Cl.Cl
• InChI: InChI=1S/C29H32N6O.3ClH/c1-3-36-25-8-4-20(5-9-25)28-30-18-22-16-21(6-10-26(22)32-28)29-31-19-23-17-24(7-11-27(23)33-29)35-14-12-34(2)13-15-35;;;/h4-11,16-17H,3,12-15,18-19H2,1-2H3,(H,30,32)(H,31,33);3*1H
• InChIKey: FYEVKHPLBHLWHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1,4-dihydroquinazolin-2-yl]-1,4-dihydroquinazoline trihydrochloride
• IUPAC Traditional name: 2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1,4-dihydroquinazolin-2-yl]-1,4-dihydroquinazoline trihydrochloride
• Synonyms: 2′-(4-Ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5′-bi-1H-benzimidazole trihydrochloride; HOE 33342; Hoechst 33342; bisBenzimide; bisBenzimide H 33342 trihydrochloride

Database IDs

• CAS Number: 23491-52-3
• EC Number: 245-691-1
• MDL Number: MFCD00012678
• Beilstein Number: 1234011
• PubChem SID: 24891639; 24859913; 24860048; 162225162; 24848717
• PubChem CID: 16211280

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): -1.1054447
• LogD (pH = 7.4): 2.9911063
• Log P: 4.286445
• Molar Refractivity: 149.8323 cm^3
• Polarizability: 54.628204 Å^3
• Polar Surface Area: 64.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: H2O: soluble20 mg/mL; phosphate buffer: precipitates
• Fluorescence: λex 340 nm; λem 510 nm; λex 355 nm; λem 465 nm in TE buffer; DNA

Safety Information

• RTECS: DT4200000
• European Hazard Symbols: Corrosive (C); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-35-37; 22-37/38
• Safety Statements: 22-36/37; 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314-H335; H302-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C; 2-8°C

Product Information

• Purity: ≥97.0% (HPLC); ≥98% (HPLC and TLC)
• Grade: for fluorescence
• Suitability: suitable for fluorescence
• Quality Level: PREMIUM
• Empirical Formula (Hill Notation): C27H28N6O · 3HCl · xH2O

DETAILS

Sigma Aldrich - 14533

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
Useful for staining DNA, chromosomes and nuclei. May be used for fluorescence microscopy or flow cytometry.Excitation max. = 346 nmEmission max. = 460 nm
bisBenzimide H 33342 trihydrochloride can be used to study biochemicals and reagents, fluorescent probes, labels, particles and stains, luminescent compounds and detection and wavelength index. bisBenzimide H 33342 trihydrochloride, Hoechst 33342, has been used in a study to investigate the effects of inorganic and organic arsenic compounds on human T-lymphoblastoid leukemia cells. Hoechst 33342 has also been used in a study to examine the effects of 9 calcium antagonists on ABCG2/BCRP-mediated resistance and transport in HeLa and SN-38-resistant HeLa (HeLa/SN100) cells, overexpressing ABCG2/BCRP.
Biochem/physiol Actions
Membrane-permeable, fluorescent DNA stains with low cytotoxicity that intercalate in A-T regions of DNA.
Other Notes
Suitable for vital DNA staining of a variety of cell types1,2; As a probe of membrane permeability in mammalian cells3

Sigma Aldrich - B2261

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
Useful for staining DNA, chromosomes and nuclei. May be used for fluorescence microscopy or flow cytometry.Excitation max. = 346 nmEmission max. = 460 nm
Biochem/physiol Actions
Membrane-permeable, fluorescent DNA stains with low cytotoxicity that intercalate in A-T regions of DNA.
包装
1 g in glass bottle
100, 500 mg in glass bottle
25 mg in poly bottle

Sigma Aldrich - 33263

Application
Useful for staining DNA, chromosomes and nuclei. May be used for fluorescence microscopy or flow cytometry.Excitation max. = 346 nmEmission max. = 460 nm
Biochem/physiol Actions
Membrane-permeable, fluorescent DNA stains with low cytotoxicity that intercalate in A-T regions of DNA.

Sigma Aldrich - 33270

Application
Useful for staining DNA, chromosomes and nuclei. May be used for fluorescence microscopy or flow cytometry.Excitation max. = 346 nmEmission max. = 460 nm
Biochem/physiol Actions
Membrane-permeable, fluorescent DNA stains with low cytotoxicity that intercalate in A-T regions of DNA.