Basic information
- CAS
314-13-6- Standard SMILES
Cc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c4c3O)c(C)c2)ccc1N=Nc1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2c1O.[Na+].[Na+].[Na+].[Na+]- InChIKey
ATNOAWAQFYGAOY-UHFFFAOYSA-J- Molecular formula
- C34H24N6Na4O14S4
- Average molar mass
- 960.8 g/mol
- Monoisotopic mass
- 959.9824113
Overview
Evans blue is an organic sodium salt that is the tetrasodium salt of 6,6'-{(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[diazene-2,1-diyl]}bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate). It is sometimes used as a counterstain, especially in fluorescent methods to suppress background autofluorescence. It has a role as a sodium channel blocker, a teratogenic agent, a fluorochrome and a histological dye. It contains an Evans blue(4-).
Names & identifiers
- Preferred name
- C.I. Direct Blue 53
- IUPAC
- tetrasodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5,7-disulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonate
- English name
- Evans Blue
- Molecular formula
- C34H29N6NaO14S4
- Molecular weight
- 896.86
Names & synonyms
C.I. DIRECT BLUE 53DTXSID9022815RefChem:57510DTXCID301507945evans blue314-13-6Direct Blue 53Dye Evans BlueEvan's BlueAzovan BlueC.I. 23860Diazobleu
Show more names
EVANS BLUE C.I. No 23860EVANS BLUE TETRASODIUM SALTt1824CI 23860C.I.24075DiazoBlueblue EvanEvans Blu
EvablinGeigy-blau 536C.I. direct blue 53 tetrasodium saltDiamine Sky Blue FFDiazol Pure Blue BFEvans blue (Technical Grade)Geigy Blue 536, medDirect blue 53 tetrasodium salt
Database identifiers
- CAS
314-13-6- PubChem CID
- 9409
- DTXSID
DTXSID9022815- ChEMBL
CHEMBL1200712- ChEBI
CHEBI:82467- UNII
- 45PG892GO1
Properties
Computed structural properties
- Topological polar surface area
- 404 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 5
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 1,790
Physicochemical properties
- storage temp.
- Store at RT.
- solubility
- DMSO (Slightly), Water (Slightly)
- Colour Index
- 23860 · 23860
- form
- Powder/Solid
- color
- Dark Brown
- Water Solubility
- 280 g/L · 280 g/L (20 ºC)
- Merck
- 14 · 14,3905
- Stability
- Stable. Incompatible with strong reducing agents, strong oxidizing agents.
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChIKey
- AFPPOOOTZAGPEB-DVDDBBOFSA-N
- SMILES
- NC1=C(C=C(S(O)(=O)=O)C2=CC=C(/N=N/C3C=CC(C4C=CC(/N=N/C5C=CC6=C(C=C(S(O)(=O)=O)C(N)=C6C=5O)S(O)(=O)=O)=C(C)C=4)=CC=3C)C(O)=C12)S(O)(=O)=O.[NaH]
- CAS DataBase Reference
- 314 · 314-13-6
- FDA UNII
- 45 PG892GO1 · 45PG892GO1
- IARC
- 3 · 3 (Vol. 8, Sup 7) 1987
- EPA Substance Registry System
- 53 · C.I. Direct Blue 53 (314-13-6)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationC.I. Direct blue 53: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- QJ6440000
- hs_code
- 32129000
- Toxicity
- LD50 intraperitoneal in mouse: 340mg/kg
- risk_code
- 45-63-11-61-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- hazard_code
- T,F
- safety_code
- 53-45-36/37-16-36/37/39
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H350
- Hazard Classifications
- Carc. 1B
- Precautionary statements
- P201-P202-P280-P308+P313-P405-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationChemicals and substances that impart color including soluble dyes and insoluble pigments. They are used in INKS; PAINTS; and as INDICATORS AND REAGENTS.
Applications
UsesEvans Blue is used for estimation of blood volume and in double-labeling procedure for studying axonal branching. It acts as an inhibitor of L-glutamate and kainate receptor-mediated currents. It is also a P2X-selective purinoceptor antagonist. It is also useful in molecular biology.
General DescriptionBlue crystals with a greenish-bronze luster or a black powder.
Preparation methods
Preparation3,3′-Dimethylbenzidine double nitriding, in alkaline conditions and 4-Amino-5-hydroxynaphthalene-1,3-disulfonic acid (2 Moore) coupled.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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