Acid blue 129 - Dye content 25 % , CAS No.6397-02-0

CAS: 6397-02-0 Cat. No.: A330734 Formule: C₂₃H₁₉N₂NaO₅S Poids moléculaire: 458.46 Numéro CE: 229-008-4

GRADE & PURITY Dye content 25 %

Synonyms

Acid Blue 129, Dye content 25 % | Acid Fast Blue BS | 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-[(2,4,6-trimethylphenyl)amino]-, monosodium salt | dimethyl trans-butenedioate | MLS002539660 | Erionyl Blue BFF | 2-Anthracenesulfonic acid

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Acid blue 129 is a water soluble dye with λ|max|629nm. Acid blue 129 has been utilized in histochemistry studies and is reported to be useful in providing a homogenous tissue background stain.|Other available Acid blue dyes include:|Acid Blue 25 |Acid Blue 80 |Acid Blue 113 |Acid Blue 161

Specifications

Synonymes

Acid Blue 129, Dye content 25 % | Acid Fast Blue BS | 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-[(2,4,6-trimethylphenyl)amino]-, monosodium salt | dimethyl trans-butenedioate | MLS002539660 | Erionyl Blue BFF | 2-Anthracenesulfonic acid

Spécifications et pureté

Dye content 25 %

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Propriétés du produit

Ki Data

P2Y12: Ki>10 μM (human)

Noms et identifiants

Pubchem Sid

528775971

Sourires canoniques

CC1=CC(=C(C(=C1)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])C.[Na+]

IUPAC Name

sodium;1-amino-9,10-dioxo-4-(2,4,6-trimethylanilino)anthracene-2-sulfonate

InChIKey

RRETZLLHOMHNNB-UHFFFAOYSA-M

INCHI

1S/C23H20N2O5S.Na/c1-11-8-12(2)21(13(3)9-11)25-16-10-17(31(28,29)30)20(24)19-18(16)22(26)14-6-4-5-7-15(14)23(19)27;/h4-10,25H,24H2,1-3H3,(H,28,29,30);/q;+1/p-1

Isomères SMILES

CC1=CC(=C(C(=C1)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])C.[Na+]

WGK Allemagne

3

RTECS

CB1035000

Poids moléculaire

458.46

Reaxy-Rn

6468342

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6468342&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: 1-sulfo,2-unsubstituted aromatic compounds Aryl ketones Aniline and substituted anilines Primary aromatic amines Vinylogous amides Sulfonyls Organosulfonic acids Secondary amines Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 9,10-anthraquinone - Anthraquinone - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Aniline or substituted anilines - Aryl ketone - Monocyclic benzene moiety - Primary aromatic amine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Vinylogous amide - Ketone - Secondary amine - Organic alkali metal salt - Organic oxygen compound - Organic nitrogen compound - Amine - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic sodium salt - Organic oxide - Organic salt - Organic cation - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water (partly).
• Indice de réfraction: n20D~1.70 (Predicted)
• Point de fusion (°C): >300° C (lit.)
• Poids moléculaire: 458.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 458.091 Da
• Monoisotopic Mass: 458.091 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 819.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3