NXY-059 - ≥99% , CAS No.168021-79-2

CAS: 168021-79-2 Cat. No.: N125000 Formule: C₁₁H₁₃NNa₂O₇S₂ Poids moléculaire: 381.33

QUALITÉ & PURETÉ ≥99%

Synonyms

CCG-268419 | Disodium,4-[(Z)-[tert-butyl(oxido)azaniumylidene]méthyl]benzène-1,3-disulfonate | MFCD09833648 | Nxy 059 | Acide benzimidazolebutyrique, 5-(bis(2-chloroéthyl)amino)-1-méthyl- | ARL-16556 | AC-33143 | AS-16949 | DISODIUM 4-((TERT-BUTYLIMINO)ME

Storage

Conserver à -20°C

Shipped In

Glacière + blocs de glace

Vue d’ensemble

NXY 059 est un composé piégeant les radicaux libres qui présente des propriétés neuroprotectrices potentielles.
Un composé piégeant les radicaux libres

Spécifications

Synonymes

CCG-268419 | Disodium,4-[(Z)-[tert-butyl(oxido)azaniumylidene]méthyl]benzène-1,3-disulfonate | MFCD09833648 | Nxy 059 | Acide benzimidazolebutyrique, 5-(bis(2-chloroéthyl)amino)-1-méthyl- | ARL-16556 | AC-33143 | AS-16949 | DISODIUM 4-((TERT-BUTYLIMINO)ME

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

Agent de piégeage des radicaux libres. Réduit la taille de l'infarctus et préserve les fonctions cérébrales dans plusieurs modèles animaux d'accident vasculaire cérébral ischémique aigu. Neuroprotecteur.

Conditions de stockage de stockage

Conserver à -20°C

Expédié en

Glacière + blocs de glace

Pureté

≥99%

Noms et identifiants

Pubchem Sid

528766364

Sourires canoniques

CC(C)(C)[N+](=CC1=C(C=C(C=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-].[Na+].[Na+]

IUPAC Name

disodium;4-[(Z)-[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate

InChIKey

XLZOVRYBVCMCGL-BPNVQINPSA-L

INCHI

1S/C11H15NO7S2.2Na/c1-11(2,3)12(13)7-8-4-5-9(20(14,15)16)6-10(8)21(17,18)19;;/h4-7H,1-3H3,(H,14,15,16)(H,17,18,19);;/q;2*+1/p-2/b12-7-;;

Isomères SMILES

CC(C)(C)/[N+](=C/C1=C(C=C(C=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])/[O-].[Na+].[Na+]

Poids moléculaire

381.33

Reaxy-Rn

11120616

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11120616&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonic acids and derivatives
• Alternative Parents: Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Sulfonyls Organosulfonic acids Shiff bases Nitrones Propargyl-type 1,3-dipolar organic compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Nitrone - Shiff base - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a 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

Cibles associées (non humaines)

Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Lipoxygenase (149 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:water, Max Conc. mg/mL: 38.13, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 38.13, Max Conc. mM: 100
• Poids moléculaire: 381.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 380.993 Da
• Monoisotopic Mass: 380.993 Da
• Topological Polar Surface Area: 160.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 578.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 3

XLogP3