PSB 06126 - ≥98%(HPLC) , CAS No.1052089-16-3

CAS: 1052089-16-3 Cat. No.: P288034 Summenformel: C₂₄H₁₅N₂NaO₅S Molekulargewicht: 466.44 PubChem CID: 24868313

GRADE & PURITY ≥98%(HPLC)

Synonyms

1-Amino-4-(1-naphthyl)aminoanthraquinone-2-sulfonic acid sodium salt | sodium 1-amino-4-(naphthalen-1-ylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

1-Amino-4-(1-naphthyl)aminoanthraquinone-2-sulfonic acid sodium salt | sodium 1-amino-4-(naphthalen-1-ylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

Nucleoside triphosphate diphosphohydrolase 3 (NTPDase 3) inhibitor. Reported to inhibit rat NTPDase 3 at low micromolar concentrations and display selectivity over NTPDase 1 and NTPDase 2.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Pubchem Sid: 528754446
• Kanonisches Lächeln: C1=CC=C2C(=C1)C=CC=C2NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;1-amino-4-(naphthalen-1-ylamino)-9,10-dioxoanthracene-2-sulfonate
• InChIKey: BLOBABILSRPNHR-UHFFFAOYSA-M
• INCHI: 1S/C24H16N2O5S.Na/c25-22-19(32(29,30)31)12-18(26-17-11-5-7-13-6-1-2-8-14(13)17)20-21(22)24(28)16-10-4-3-9-15(16)23(20)27;/h1-12,26H,25H2,(H,29,30,31);/q;+1/p-1
• Isomere SMILES: C1=CC=C2C(=C1)C=CC=C2NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-].[Na+]
• PubChem CID: 24868313
• Molekulargewicht: 466.44

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: 1-sulfo,2-unsubstituted aromatic compounds Aryl ketones 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 - Aryl ketone - Primary aromatic amine - Vinylogous amide - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Ketone - Organic alkali metal salt - Secondary amine - Amine - Organic nitrogen compound - Organic salt - Organic sodium salt - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homopolycyclic compound
• Beschreibung: 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

Zugehörige Ziele (menschlich)

VDR Tclin Vitamin D receptor (26531 Activities)

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P2RY12 Tclin Purinergic receptor P2Y12 (2369 Activities)

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

P2RY6 Tchem Pyrimidinergic receptor P2Y6 (717 Activities)

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

P2RX4 Tchem P2X purinoceptor 4 (516 Activities)

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

P2RY4 Tchem Pyrimidinergic receptor P2Y4 (598 Activities)

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

P2RY2 Tclin Purinergic receptor P2Y2 (1109 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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

NT5E Tchem 5'-nucleotidase (622 Activities)

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)

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BLM Tchem Bloom syndrome protein (4248 Activities)

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Zugehörige Ziele (nicht menschlich)

P2rx2 P2X purinoceptor 2 (106 Activities)

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

ENTPD1 Ectonucleoside triphosphate diphosphohydrolase 1 (16 Activities)

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

Entpd2 Ectonucleoside triphosphate diphosphohydrolase 2 (37 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

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Entpd3 Nucleoside triphosphate diphosphohydrolase 3 (27 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 46.64, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 23.32, Max Conc. mM: 50
• Molekulargewicht: 466.400 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 466.06 Da
• Monoisotopic Mass: 466.06 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 861.000
• 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