NF023 - Moligand™ , Antagonist of P2X1, CAS No.N612277, Antagonist of P2X1

CAS: N612277 Cat. No.: N612277 PubChem CID: 4465

GRADE & PURITY Moligand™

Synonyms

NF-023

Storage

Room temperature

Specifications

Synonyme

NF-023

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

ANTAGONIST

Mechanismus der Wirkung

Antagonist of P2X1

Namen und Kennungen

• Kanonisches Lächeln: [Na]OS(=O)(=O)c1cc(cc2c1c(ccc2S(=O)(=O)O[Na])NC(=O)c1cccc(c1)NC(=O)Nc1cccc(c1)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O[Na])S(=O)(=O)O[Na])S(=O)(=O)O[Na])S(=O)(=O)O[Na]
• IUPAC Name: 1,3,5-trisodium 8-{[3-({[3-({4,6,8-tris[(sodiooxy)sulfonyl]naphthalen-1-yl}carbamoyl)phenyl]carbamoyl}amino)benzene]amido}naphthalene-1,3,5-trisulfonate
• InChIKey: FMQURVHYTBGYSQ-UHFFFAOYSA-H
• INCHI: 1S/C35H26N4O21S6.6Na/c40-33(38-25-7-9-27(63(49,50)51)23-13-21(61(43,44)45)15-29(31(23)25)65(55,56)57)17-3-1-5-19(11-17)36-35(42)37-20-6-2-4-18(12-20)34(41)39-26-8-10-28(64(52,53)54)24-14-22(62(46,47)48)16-30(32(24)26)66(58,59)60;;;;;;/h1-16H,(H,38,40)(H,39,41)(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;;;/q;6*+1/p-6
• Isomere SMILES: C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)NC5=C6C(=CC(=CC6=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• PubChem CID: 4465

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives
        • Ebene5 Naphthalene sulfonates
          • Ebene6 2-naphthalene sulfonates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Naphthalene sulfonates
• Direct Parent: 2-naphthalene sulfonates
• Alternative Parents: 1-naphthalene sulfonates 1-naphthalene sulfonic acids and derivatives 2-naphthalene sulfonic acids and derivatives N-phenylureas 1-sulfo,2-unsubstituted aromatic compounds Benzamides Benzoyl derivatives Organosulfonic acids Sulfonyls Secondary carboxylic acid amides Ureas Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 1-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - N-phenylurea - Arylsulfonic acid or derivatives - Benzamide - Benzoic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Urea - Carboxamide group - Secondary carboxylic acid amide - Carbonic acid derivative - Carboxylic acid derivative - Organic alkali metal salt - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic sodium salt - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• 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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