NXY-059 - ≥99% , CAS No.168021-79-2

CAS: 168021-79-2 Cat. No.: N125000 分子式: C₁₁H₁₃NNa₂O₇S₂ 分子量: 381.33

グレード＆純度 ≥99%

Synonyms

Disodium,4-[(Z)-[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate|Nxy 059|2-Benzimidazolebutyric acid, 5-(bis(2-chloroethyl)amino)-1-methyl-|ARL-16556|DISODIUM 4-((TERT-BUTYLIMINO)METHYL)BENZENE-1,3-DISULFONATE N-OXIDE|Disufenton sodium [INN]|(.+-.)-Glaziovine|sodium 4-(2-tert-butyl-1,2-oxaziridin-3-yl)benzene-1,3-disulfonate|1,3-BENZENEDISULFONIC ACID, 4-(((1,1-DIMETHYLETHYL)OXIDOIMINO)METHYL), DISODIUM SALT|DISUFENTON SODIUM [WHO-DD]|DISUFENTON SODIUM SALT [MI]|Cerovive (nxy-059)|Cerovive|1,3-Benzenedisulfonic acid, 4-[[(1,1-dimethylethyl)oxidoimino]methyl]-, sodium salt (1:2)|DISUFENTON SODIUM [MART.]|MESNA IMPURITY D [EP IMPURITY]|Disufenton sodium (USAN/INN)|Disodium 4-(((1,1-dimethylethyl)imino)methyl)benzene-1,3-disulfonate N-oxide|DISODIUM 4-(((1,1-DIMETHYLETHYL)IMINO)METHYL)BENZENE-1,3-DISULPHONATE N-OXIDE|NXY-059 (Disufenton sodium)|CPI-22|DISODIUM 4-((TERT-BUTYLIMINO)METHYL)BENZENE-1,3-DISULPHONATE N-OXIDE|NXY059|NXY-059|Disufenton sodium salt|sodium 4-((tert-butyloxidoimino)methyl)benzene-1,3-disulfonate|Disufenton sodium|CXY-059|DISUFENTON SODIUM [USAN]|HPN-07|L-GLUTAMICACIDGAMMA-(BETA-NAPHTHYLAMIDE)|4-[[(1,1-Dimethylethyl)oxoimino]methyl]-1,3-benzenedisulfonic acid disodium salt

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

NXY 059 is a free radical trapping compound that displays potential neuroprotective properties.
A free radical trapping compound

仕様

同義語

Disodium,4-[(Z)-[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate | Nxy 059 | 2-Benzimidazolebutyric acid, 5-(bis(2-chloroethyl)amino)-1-methyl- | ARL-16556 | DISODIUM 4-((TERT-BUTYLIMINO)METHYL)BENZENE-1,3-DISULFONATE N-OXIDE | Disufenton sodium [INN] | (.+-.)-Glaziovine | sodium 4-(2-tert-butyl-1,2-oxaziridin-3-yl)benzene- もっと見る

仕様と純度

≥99%

生化学的・生理学的メカニズム

Free radical trapping agent. Reduces infarct size and preserves brain function in several animal models of acute ischemic stroke. Neuroprotectant.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥99%

名前と識別子

パブケム・シド

528766364

カノニカル・スマイル

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-;;

異性体SMILES

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

分子量

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
    • 分類 Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Solvent:water, Max Conc. mg/mL: 38.13, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 38.13, Max Conc. mM: 100
• 分子量: 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