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23491-52-3 molecular structure
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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 and InChIs

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

Cite this record

CBID:130884 http://www.chembase.cn/molecule-130884.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
23491-52-3
EC Number
245-691-1
MDL Number
MFCD00012678
Beilstein Number
1234011
PubChem SID
24860048
24848717
24859913
24891639
162225162
PubChem CID
16211280

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16211280 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.1054447  LogD (pH = 7.4) 2.9911063 
Log P 4.286445  Molar Refractivity 149.8323 cm3
Polarizability 54.628204 Å3 Polar Surface Area 64.49 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble20 mg/mL expand Show data source
phosphate buffer: precipitates expand Show data source
Fluorescence
λex 340 nm; λem 510 nm expand Show data source
λex 355 nm; λem 465 nm in TE buffer; DNA expand Show data source
RTECS
DT4200000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-35-37 expand Show data source
22-37/38 expand Show data source
Safety Statements
22-36/37 expand Show data source
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H314-H335 expand Show data source
H302-H315-H318-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
P261-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
-20°C expand Show data source
2-8°C expand Show data source
Purity
≥97.0% (HPLC) expand Show data source
≥98% (HPLC and TLC) expand Show data source
Grade
for fluorescence expand Show data source
Suitability
suitable for fluorescence expand Show data source
Quality Level
PREMIUM expand Show data source
Empirical Formula (Hill Notation)
C27H28N6O · 3HCl · xH2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 14533 external link
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 external link
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 external link
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 external link
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.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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