Atpenin A5 - ≥95% , CAS No.119509-24-9

CAS: 119509-24-9 Cat. No.: A275010 Peso molecular: 366.24

GRADE & PURITY ≥95%

Synonyms

AT5 | 3-[(2S,4S,5R)-5,6-DICHLORO-2,4-DIMETHYL-1-OXOHEXYL]-4-HYDROXY-5,6-DIMETHOXY-2(1H)-PYRIDINONE | DB04631 | 3-[(2S,4S,5R)-5,6-dichloro-2,4-dimethylhexanoyl]-4-hydroxy-5,6-dimethoxypyridin-2(1H)-one | Atpenin A5 | Q27095367 | SCHEMBL1506735 | 3-[(2S,4S,

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos

AT5 | 3-[(2S, 4S, 5R)-5, 6-DICHLORO-2, 4-DIMETHYL-1-OXOHEXYL]-4-HYDROXY-5, 6-DIMETHOXY-2(1H)-PYRIDINONE | DB04631 | 3-[(2S, 4S, 5R)-5, 6-dichloro-2, 4-dimethylhexanoyl]-4-hydroxy-5, 6-dimethoxypyridin-2(1H)-one | Atpenin A5 | Q27095367 | SCHEMBL1506735 | 3-[(2S, 4S,

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

Highly selective, potent ubiquinone-binding site mitochondrial complex II inhibitor (IC 50 values are 12 and 3.7 nM for nematode and mammalian mitochondria respectively). Stimulates mitochondrial K ATP channels. Shows anti-ischemic and cardioprotective ef

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

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

Tipo de acción

AGONIST

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504771343
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771343
• Sonrisas canónicas: CC(CC(C)C(=O)C1=C(C(=C(NC1=O)OC)OC)O)C(CCl)Cl
• IUPAC Name: 3-[(2S,4S,5R)-5,6-dichloro-2,4-dimethylhexanoyl]-4-hydroxy-5,6-dimethoxy-1H-pyridin-2-one
• InChIKey: OVULNOOPECCZRG-CIUDSAMLSA-N
• INCHI: 1S/C15H21Cl2NO5/c1-7(9(17)6-16)5-8(2)11(19)10-12(20)13(22-3)15(23-4)18-14(10)21/h7-9H,5-6H2,1-4H3,(H2,18,20,21)/t7-,8-,9-/m0/s1
• Isómeros SMILES: C[C@@H](C[C@H](C)C(=O)C1=C(C(=C(NC1=O)OC)OC)O)[C@H](CCl)Cl
• Peso molecular: 366.24
• Reaxy-Rn: 29790290
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29790290&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Aryl alkyl ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones
• Direct Parent: Aryl alkyl ketones
• Alternative Parents: Pyridinones Hydroxypyridines Dihydropyridines Alkyl aryl ethers Vinylogous amides Vinylogous acids Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl alkyl ketone - Alkyl aryl ether - Dihydropyridine - Pyridinone - Hydroxypyridine - Hydropyridine - Pyridine - Vinylogous amide - Vinylogous acid - Heteroaromatic compound - Lactam - Organoheterocyclic compound - Azacycle - Ether - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organonitrogen compound - Organic nitrogen compound - Alkyl chloride - Organopnictogen compound - Alkyl halide - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in ethanol and in DMSO
• Punto de fusión (°C): 83-86° C
• Peso molecular: 366.200 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 365.08 Da
• Monoisotopic Mass: 365.08 Da
• Topological Polar Surface Area: 84.900 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 544.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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