NYC-488 - ≥94% , CAS No.1448429-06-8

CAS: 1448429-06-8 Cat. No.: N276203 Fórmula: C₁₉H₁₇FN₆O₅S Peso molecular: 460.4 PubChem CID: 71660816

GRADE & PURITY ≥94%

Synonyms

(2S,3S)-3-((S)-1-((1-(4-Fluorofenil)-1H-1,2,3-triazol-4-il)-metilamino)-1-oxo-3-(tiazol-4-il)propan-2-ilcarbamoil)-oxirano-2-carboxilicacido

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

Conservar a -20°C.

Specifications

Sinónimos

(2S,3S)-3-((S)-1-((1-(4-Fluorofenil)-1H-1,2,3-triazol-4-il)-metilamino)-1-oxo-3-(tiazol-4-il)propan-2-ilcarbamoil)-oxirano-2-carboxilicacido

Especificaciones y pureza

≥94%

Mecanismos bioquímicos y fisiológicos

Novedoso inhibidor selectivo de la calpaína. Posible agente terapéutico contra la enfermedad de Alzheimer.

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Tipo de acción

INHIBITOR

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

≥94%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1N2C=C(N=N2)CNC(=O)C(CC3=CSC=N3)NC(=O)C4C(O4)C(=O)O)F
• IUPAC Name: (2S,3S)-3-[[(2S)-1-[[1-(4-fluorophenyl)triazol-4-yl]methylamino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamoyl]oxirane-2-carboxylic acid
• InChIKey: IPWMYOJQVHCYRC-JYJNAYRXSA-N
• INCHI: 1S/C19H17FN6O5S/c20-10-1-3-13(4-2-10)26-7-12(24-25-26)6-21-17(27)14(5-11-8-32-9-22-11)23-18(28)15-16(31-15)19(29)30/h1-4,7-9,14-16H,5-6H2,(H,21,27)(H,23,28)(H,29,30)/t14-,15-,16-/m0/s1
• Isómeros SMILES: C1=CC(=CC=C1N2C=C(N=N2)CNC(=O)[C@H](CC3=CSC=N3)NC(=O)[C@@H]4[C@H](O4)C(=O)O)F
• PubChem CID: 71660816
• Peso molecular: 460.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids and derivatives
• Alternative Parents: Alpha amino acid amides Phenyl-1,2,3-triazoles Fluorobenzenes Oxirane carboxylic acids Aryl fluorides Fatty amides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organonitrogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenyltriazole - Phenyl-1,2,3-triazole - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Oxirane carboxylic acid - Oxirane carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Fatty amide - Fatty acyl - 1,2,3-triazole - Heteroaromatic compound - Azole - Thiazole - Triazole - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid - Dialkyl ether - Oxirane - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
• 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 (humanos)

CAPN1 Tchem Calpain-1 catalytic subunit (3 Activities)

Discover Target: CAPN1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Objetivos asociados (no humanos)

Papain (844 Activities)

Explore this target

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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥94% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1448429-06-8, the molecular formula is C19H17FN6O5S, and the molecular weight is 460.4 g/mol. InChIKey IPWMYOJQVHCYRC-JYJNAYRXSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.