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13324-20-4 molecular structure
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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

ChemBase ID: 103512
Molecular Formular: C23H14Cl2N6O8S2
Molecular Mass: 637.42866
Monoisotopic Mass: 635.9691588
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

Cite this record

CBID:103512 http://www.chembase.cn/molecule-103512.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-amino-4-({3-[(dichloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
IUPAC Traditional name
procion blue MX-R
Synonyms
Reactive Blue 4-Agarose
Reactive blue 4
Procion® Blue MX-R
1-Amino-4-[3-(4,6-dichlorotriazin-2-ylamino)-4-sulfophenylamino]anthraquinone-2-sulfonic acid
REACTIVE BLUE 4
Procion® blue MX-R
Reactive Blue 4
C.I. 61205
Procion Blue MX-R
活性蓝 4-琼脂糖
活性蓝4
CAS Number
13324-20-4
EC Number
236-363-9
MDL Number
MFCD00001218
Beilstein Number
602258
PubChem SID
24899356
162090877
24899424
24854708
24887882
24899410
PubChem CID
25863
Color Index Number
61205

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -2.7869458  H Acceptors 14 
H Donor LogD (pH = 5.5) 0.9070026 
LogD (pH = 7.4) 0.9064079  Log P 1.2644666 
Molar Refractivity 151.4756 cm3 Polarizability 56.790455 Å3
Polar Surface Area 231.63 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Apperance
lyophilized powder (stabilized with lactose) expand Show data source
prepacked column expand Show data source
saline suspension expand Show data source
Absorption Wavelength
λmax 595 nm expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
CB1030000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
3 expand Show data source
Risk Statements
36 expand Show data source
R:36 expand Show data source
Safety Statements
26 expand Show data source
S:26 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H319 expand Show data source
GHS Precautionary statements
P280-P264-P305+P351+P338-P337+P313 expand Show data source
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Gene Information
rat ... P2rx1(25505) expand Show data source
Purity
Dye Content ~40% expand Show data source
dye content ca 40% expand Show data source
Grade
for microscopy expand Show data source
Compostion
Dye content, 35% expand Show data source
Certificate of Analysis
Download expand Show data source
Extent of Labeling
2-7 mg per mL expand Show data source
Matrix
cross-linked 4% beaded agarose expand Show data source
Column volume
2.5 mL expand Show data source
Capacity
≥5 mg/mL binding capacity (human serum albumin) expand Show data source
Empirical Formula (Hill Notation)
C23H14Cl2N6O8S2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02152016 external link
C.I. 61205
Dye Content: ~ 40%
Sigma Aldrich - RB45 external link
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 external link
Quantity
Swelling: 1 g swells to approx. 5 ml
Sigma Aldrich - R2507 external link
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 external link
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 external link
Packaging
25 g in glass bottle
Legal Information
Procion is a registered trademark of Dystar Textilfarben GmbH & Co.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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