AA26-9 - ≥98% , CAS No.1312782-34-5

CAS: 1312782-34-5 Cat. No.: A412299 Fórmula: C₇H₁₀N₄O Peso molecular: 166.18

GRADE & PURITY ≥98%

Synonyms

pyrrolidin-1-yl(1H-1,2,3-triazol-1-yl)methanone | 1-​pyrrolidinyl-​1H-​1,​2,​3-​triazol-​1-​yl-methanone

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Product description：

AA26-9 is a potent and broad spectrum serine hydrolase inhibitor. AA26-9 targets included serine peptidases, lipases, amidases, esterases, and thioesterases. AA26-9 shows inhibitory activity against approximately 1/3 of the 40+ serine hydrolases detected in immortalized T cell lines

Information

AA26-9 AA26-9 is a potent and broad spectrum inhibitor of Serine hydrolases (SHs) .

Targets

SHs

Specifications

Sinónimos

pyrrolidin-1-yl(1H-1,2,3-triazol-1-yl)methanone | 1-​pyrrolidinyl-​1H-​1,​2,​3-​triazol-​1-​yl-methanone

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

AA26-9 is a potent and broad spectrum inhibitor of Serine hydrolases (SHs).

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504770790
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770790
• Sonrisas canónicas: C1CCN(C1)C(=O)N2C=CN=N2
• IUPAC Name: pyrrolidin-1-yl(triazol-1-yl)methanone
• InChIKey: IFXGAMVQLDJRBQ-UHFFFAOYSA-N
• INCHI: 1S/C7H10N4O/c12-7(10-4-1-2-5-10)11-6-3-8-9-11/h3,6H,1-2,4-5H2
• Isómeros SMILES: C1CCN(C1)C(=O)N2C=CN=N2
• Peso molecular: 166.18
• Reaxy-Rn: 22979886
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22979886&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines
      • Subclass Pyrrolidine carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Pyrrolidine carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidinecarboxamides
• Alternative Parents: Triazoles Heteroaromatic compounds Tertiary amines Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrrolidine-1-carboxamide - Heteroaromatic compound - 1,2,3-triazole - Azole - Tertiary amine - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolidinecarboxamides. These are pyrrolidines in which the pyrrolidine rings is substituted at one or more positions by a carboxamide group. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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: Solubility (25°C) In vitro DMSO: 33 mg/mL (198.57 mM); Water: 33 mg/mL (198.57 mM); Ethanol: 33 mg/mL (198.57 mM)
• Peso molecular: 166.180 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 166.085 Da
• Monoisotopic Mass: 166.085 Da
• Topological Polar Surface Area: 51.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 178.000
• 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: 1

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% 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 1312782-34-5, the molecular formula is C7H10N4O, and the molecular weight is 166.18 g/mol. InChIKey IFXGAMVQLDJRBQ-UHFFFAOYSA-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.