Sivelestat sódico tetrahidratado - ≥98% , CAS No.201677-61-4

CAS: 201677-61-4 Cat. No.: S275861 Peso molecular: 528.51 PubChem CID: 23663985

GRADE & PURITY ≥98%

Synonyms

LY544349 HIDRATO DE SODIO | LY-544349 HIDRATO DE SODIO | Tox21_112570 | (8R,9S,10R,13S,14S)-4-hidroxi-10,13-dimetil-2,6,7,8,9,11,12,14,15,16-decahidro-1H-ciclopenta[a]fenantreno-3,17-quinona | CAS-201677-61-4 | EI-546 | Sivelestat (hidrato de sal de sodio

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

Conservar a temperatura ambiente. El producto puede conservarse hasta 12 meses.

Specifications

Sinónimos

LY544349 HIDRATO DE SODIO | LY-544349 HIDRATO DE SODIO | Tox21_112570 | (8R, 9S, 10R, 13S, 14S)-4-hidroxi-10, 13-dimetil-2, 6, 7, 8, 9, 11, 12, 14, 15, 16-decahidro-1H-ciclopenta[a]fenantreno-3, 17-quinona | CAS-201677-61-4 | EI-546 | Sivelestat (hidrato de sal de sodio

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Es un inhibidor competitivo de la elastasa de neutrófilos humanos (HNE) (IC50 = 44 nm, Ki = 0, 2 μ M)。 También inhibió la elastasa de leucocitos obtenida de conejos, ratas, hámsters y ratones (IC50 = 19 a 49 nm). Pero incluso a 100 μ At m, tampoco inhibió

Fuente

Synthetic

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Nota

Siempre que sea posible, prepare y utilice las soluciones el mismo día. Sin embargo, si necesita preparar soluciones madre con antelación, le recomendamos que almacene la solución como alícuotas en viales herméticamente cerrados a -20°C. Por lo general, podrán utilizarse durante un mes. Antes de su uso, y antes de abrir el vial, le recomendamos que deje que el producto se equilibre a temperatura ambiente durante al menos 1 hora. ¿Necesita más consejos sobre solubilidad, uso y manipulación? Visite nuestra página de preguntas frecuentes (FAQ) para obtener más información.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504769487
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769487
• Sonrisas canónicas: CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)[O-].O.O.O.O.[Na+]
• IUPAC Name: sodium;2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetate;tetrahydrate
• InChIKey: PLHREJBSQUSUCW-UHFFFAOYSA-M
• INCHI: 1S/C20H22N2O7S.Na.4H2O/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24;;;;;/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24);;4*1H2/q;+1;;;;/p-1
• Isómeros SMILES: CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)[O-].O.O.O.O.[Na+]
• PubChem CID: 23663985
• Peso molecular: 528.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzamides
          • Level6 Hippuric acids and derivatives
            • Level7 Hippuric acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzamides - Hippuric acids and derivatives
• Direct Parent: Hippuric acids
• Alternative Parents: N-acyl-alpha amino acids Sulfanilides Phenol esters Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Benzoyl derivatives Organosulfonamides Dicarboxylic acids and derivatives Vinylogous amides Aminosulfonyl compounds Secondary carboxylic acid amides Carboxylic acid esters Carboxylic acid salts Carboxylic acids Organonitrogen compounds Organopnictogen compounds Carbonyl compounds Organic zwitterions Organic sodium salts Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzenesulfonamide - Sulfanilide - Phenol ester - Benzenesulfonyl group - Phenoxy compound - Benzoyl - Organosulfonic acid amide - Dicarboxylic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid salt - Secondary carboxylic acid amide - Organic alkali metal salt - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organic salt - Organopnictogen compound - Organic zwitterion - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
• 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

Objetivos asociados (no humanos)

Galc Galactocerebrosidase (11 Activities)

Discover Target: Galc

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Plasmodium falciparum (966862 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO
• Peso molecular: 528.500 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 9
• Exact Mass: 528.139 Da
• Monoisotopic Mass: 528.139 Da
• Topological Polar Surface Area: 154.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 738.000
• 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: 6

XLogP3