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1-amino-4-({3-[(dichloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
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ChemBase ID:
103512
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Molecular Formular:
C23H14Cl2N6O8S2
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Molecular Mass:
637.42866
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Monoisotopic Mass:
635.9691588
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SMILES and InChIs
SMILES:
Nc1c2C(=O)c3c(cccc3)C(=O)c2c(Nc2cc(Nc3nc(Cl)nc(Cl)n3)c(cc2)S(=O)(=O)O)cc1S(=O)(=O)O
Canonical SMILES:
Clc1nc(Cl)nc(n1)Nc1cc(ccc1S(=O)(=O)O)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O
InChI:
InChI=1S/C23H14Cl2N6O8S2/c24-21-29-22(25)31-23(30-21)28-12-7-9(5-6-14(12)40(34,35)36)27-13-8-15(41(37,38)39)18(26)17-16(13)19(32)10-3-1-2-4-11(10)20(17)33/h1-8,27H,26H2,(H,34,35,36)(H,37,38,39)(H,28,29,30,31)
InChIKey:
RTLULCVBFCRQKI-UHFFFAOYSA-N
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Cite this record
CBID:103512 http://www.chembase.cn/molecule-103512.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-amino-4-({3-[(dichloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
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IUPAC Traditional name
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Synonyms
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Reactive Blue 4-Agarose
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Reactive blue 4
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Procion® Blue MX-R
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1-Amino-4-[3-(4,6-dichlorotriazin-2-ylamino)-4-sulfophenylamino]anthraquinone-2-sulfonic acid
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REACTIVE BLUE 4
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Procion® blue MX-R
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Reactive Blue 4
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C.I. 61205
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Procion Blue MX-R
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活性蓝 4-琼脂糖
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活性蓝4
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CAS Number
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EC Number
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MDL Number
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Beilstein Number
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PubChem SID
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PubChem CID
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Color Index Number
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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-2.7869458
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H Acceptors
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14
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H Donor
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5
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LogD (pH = 5.5)
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0.9070026
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LogD (pH = 7.4)
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0.9064079
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Log P
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1.2644666
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Molar Refractivity
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151.4756 cm3
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Polarizability
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56.790455 Å3
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Polar Surface Area
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231.63 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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false
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DETAILS
DETAILS
MP Biomedicals
Sigma Aldrich
Sigma Aldrich -
RB45
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Application Reactive Blue 4-agarose is used in affinity chromatography, protein chromatography and dye resins. Reactive Blue 4-agarose has been used to express human pituitary glutaminyl cyclase (hQC) in Drosophila S2 cells. |
Sigma Aldrich -
R8754
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Quantity Swelling: 1 g swells to approx. 5 ml |
Sigma Aldrich -
R2507
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Physical form Suspension in 0.5 M NaCl containing 0.02% thimerosal Application Reactive Blue 4-agarose is used in affinity chromatography, protein chromatography and dye resins. Reactive Blue 4-agarose has been used to express human pituitary glutaminyl cyclase (hQC) in Drosophila S2 cells. |
Sigma Aldrich -
81683
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Other Notes Reactive dye for protein staining in gel electrophoresis1; Ligand in affinity chromatography of enzymes2; Specifically inhibits L-type pyruvate kinase3 Legal Information Procion is a registered trademark of Dystar Textilfarben GmbH & Co. |
Sigma Aldrich -
244813
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Packaging 25 g in glass bottle Legal Information Procion is a registered trademark of Dystar Textilfarben GmbH & Co. |
PATENTS
PATENTS
PubChem Patent
Google Patent