M62812 - ≥98%(HPLC) , CAS No.613263-00-6

CAS: 613263-00-6 Cat. No.: M287199 Peso molecular: 330.23 PubChem CID: 44224214

GRADE & PURITY ≥98%(HPLC)

Synonyms

1,2-Benzisothiazol-3-amine, 6-(2-aminophenoxy)-, hydrochloride (1:2) | 6-(2-Aminophenoxy)-1,2-benzisothiazol-3-amine hydrochloride (1:2) | 6-(2-Aminophenoxy)benzo(d)isothiazol-3-amine dihydrochloride | HY-103639A | 1,2-Benzisothiazol-3-amine, 6-(2-aminoph

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

1, 2-Benzisothiazol-3-amine, 6-(2-aminophenoxy)-, hydrochloride (1:2) | 6-(2-Aminophenoxy)-1, 2-benzisothiazol-3-amine hydrochloride (1:2) | 6-(2-Aminophenoxy)benzo(d)isothiazol-3-amine dihydrochloride | HY-103639A | 1, 2-Benzisothiazol-3-amine, 6-(2-aminoph

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

TLR4 inhibitor. Inhibits LPS-induced NF-κB activation in HEK293 cells (IC50= 2.4 μg/mL). Also inhibits LPS-induced cytokine production and procoagulant effects in PBMCs and HUVECs. Prolongs survival in a mouse septic shock model.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥98%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C(=C1)N)OC2=CC3=C(C=C2)C(=NS3)N.Cl.Cl
• IUPAC Name: 6-(2-aminophenoxy)-1,2-benzothiazol-3-amine;dihydrochloride
• InChIKey: SMTKPLISDFNJDJ-UHFFFAOYSA-N
• INCHI: 1S/C13H11N3OS.2ClH/c14-10-3-1-2-4-11(10)17-8-5-6-9-12(7-8)18-16-13(9)15;;/h1-7H,14H2,(H2,15,16);2*1H
• Isómeros SMILES: C1=CC=C(C(=C1)N)OC2=CC3=C(C=C2)C(=NS3)N.Cl.Cl
• PubChem CID: 44224214
• Peso molecular: 330.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: Benzothiazoles Phenoxy compounds Phenol ethers Aniline and substituted anilines Imidolactams Aminothiazoles Heteroaromatic compounds Azacyclic compounds Primary amines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diaryl ether - 1,2-benzothiazole - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Imidolactam - Benzenoid - 1,2-thiazolamine - Monocyclic benzene moiety - Thiazole - Azole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Hydrochloride - Primary amine - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
• 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

Propiedades químicas y físicas

• Solubilidad: Solvent:water, Max Conc. mg/mL: 33.02, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 16.51, Max Conc. mM: 50
• Peso molecular: 330.200 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 329.016 Da
• Monoisotopic Mass: 329.016 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 291.000
• 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: 3

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