Uniblue A sodium salt - ≥70% , CAS No.14541-90-3

CAS: 14541-90-3 Cat. No.: U333049 Molecular Weight: 506.48 EC Number: 238-573-6 PubChem CID: 23672572

GRADE & PURITY ≥70%

Synonyms

Uniblue A (sodium) | Uniblue A sodium salt | Uniblue A | SCHEMBL19921895 | J-008103 | sodium 1-amino-9,10-dioxo-4-(3-(vinylsulfonyl)phenylamino)-9,10-dihydroanthracene-2-sulfonate | Acid Blue 215 | Uniblueasodiumsalt | FT-0637100 | HY-D1544 | sodium;1-ami

Storage

Room temperature

Shipped In

Normal

Overview

Uniblue A sodium salt is a reactive protein stain used in biochemical research.

Specifications

Synonyms

Uniblue A (sodium) | Uniblue A sodium salt | Uniblue A | SCHEMBL19921895 | J-008103 | sodium 1-amino-9, 10-dioxo-4-(3-(vinylsulfonyl)phenylamino)-9, 10-dihydroanthracene-2-sulfonate | Acid Blue 215 | Uniblueasodiumsalt | FT-0637100 | HY-D1544 | sodium;1-ami

Specifications & Purity

≥70%

Storage

Room temperature

Shipped In

Normal

Purity

≥70%

Names and Identifiers

• Canonical Smiles: C=CS(=O)(=O)C1=CC=CC(=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;1-amino-4-(3-ethenylsulfonylanilino)-9,10-dioxoanthracene-2-sulfonate
• InChIKey: ANOULJGZTVOIFB-UHFFFAOYSA-M
• INCHI: 1S/C22H16N2O7S2.Na/c1-2-32(27,28)13-7-5-6-12(10-13)24-16-11-17(33(29,30)31)20(23)19-18(16)21(25)14-8-3-4-9-15(14)22(19)26;/h2-11,24H,1,23H2,(H,29,30,31);/q;+1/p-1
• Isomeric SMILES: C=CS(=O)(=O)C1=CC=CC(=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]
• WGK Germany: 3
• PubChem CID: 23672572
• Molecular Weight: 506.48

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Aryl ketones Aniline and substituted anilines Primary aromatic amines Vinylogous amides Sulfones 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 - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Aniline or substituted anilines - Aryl ketone - Monocyclic benzene moiety - Primary aromatic amine - Sulfone - 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 - Organic oxide - Organic sodium salt - Hydrocarbon derivative - 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

Associated Targets(Human)

P2RX1 Tchem P2X purinoceptor 1 (328 Activities)

Discover Target: P2RX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (partly).
• Refractive Index: n20D1.71 (Predicted)
• Melt Point(°C): >300° C (lit.)
• Molecular Weight: 506.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 506.022 Da
• Monoisotopic Mass: 506.022 Da
• Topological Polar Surface Area: 180.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 1020.000
• 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

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