AA 147 - ≥98%(HPLC) , CAS No.393121-74-9

CAS: 393121-74-9 Cat. No.: A288526 Fórmula: C₁₆H₁₇NO₂ Peso molecular: 255.31

GRADE & PURITY ≥98%(HPLC)

Synonyms

N-(2-Hydroxy-5-methylphenyl)benzenepropanamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Product description

AA147 is a small molecule endoplasmic reticulum (ER) proteostasis regulator. The selectively activates ATF6 arm of the unfolded protein response (UPR) .It acts as a prodrug that preferentially triggers ATF6 signaling through a mechanism involving localized metabolic activation and selective covalent modification of ER resident proteins that regulate ATF6 activity.

Specifications

Sinónimos

N-(2-Hydroxy-5-methylphenyl)benzenepropanamide

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

Endoplasmic reticulum (ER) proteostasis regulator. Activates the ATF6 transcriptional program independently of ER stress and/or global UPR activation. Selectively reduces secretion of amyloidogenic transthyretin (TTR) from HepG2 cells. Reduces amyloidogen

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%(HPLC)

Nomes e identificadores

• Pubchem Sid: 504760305
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760305
• Sorrisos canónicos: CC1=CC(=C(C=C1)O)NC(=O)CCC2=CC=CC=C2
• IUPAC Name: N-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide
• InChIKey: AWHLTHOHBAGPMY-UHFFFAOYSA-N
• INCHI: 1S/C16H17NO2/c1-12-7-9-15(18)14(11-12)17-16(19)10-8-13-5-3-2-4-6-13/h2-7,9,11,18H,8,10H2,1H3,(H,17,19)
• SMILES isoméricas: CC1=CC(=C(C=C1)O)NC(=O)CCC2=CC=CC=C2
• Peso molecular: 255.31
• Reaxy-Rn: 30212014
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30212014&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: Para cresols N-arylamides Toluenes 1-hydroxy-2-unsubstituted benzenoids Fatty amides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - P-cresol - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Toluene - Fatty amide - Fatty acyl - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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

Alvos associados (humanos)

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 25.53, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 25.53, Max Conc. mM: 100
• Peso molecular: 255.310 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 255.126 Da
• Monoisotopic Mass: 255.126 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 286.000
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. 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 393121-74-9, the molecular formula is C16H17NO2, and the molecular weight is 255.31 g/mol. InChIKey AWHLTHOHBAGPMY-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.