6,7-Dihydro-5H-pyrrolo[3,4-b]pyridin-5-one - ≥97% , CAS No.40107-93-5

CAS: 40107-93-5 Cat. No.: D589008 Peso molecular: 134.14 Número EC: 811-541-4

GRADE & PURITY ≥97%

Synonyms

AKOS006358650 | 6,7-dihydro-pyrrolo[3,4-b]pyridin-5-one | 6,7-dihydropyrrolo[3,4-b]pyridin-5-one | SCHEMBL2223651 | 5H,6H,7H-Pyrrolo[3,4-b]pyridin-5-one | IPMQFUGFGHJSEI-UHFFFAOYSA-N | AM86109 | EN300-120438 | 5H-Pyrrolo[3,4-b]pyridin-5-one, 6,7-dihydro-

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

AKOS006358650 | 6, 7-dihydro-pyrrolo[3, 4-b]pyridin-5-one | 6, 7-dihydropyrrolo[3, 4-b]pyridin-5-one | SCHEMBL2223651 | 5H, 6H, 7H-Pyrrolo[3, 4-b]pyridin-5-one | IPMQFUGFGHJSEI-UHFFFAOYSA-N | AM86109 | EN300-120438 | 5H-Pyrrolo[3, 4-b]pyridin-5-one, 6, 7-dihydro-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1C2=C(C=CC=N2)C(=O)N1
• IUPAC Name: 6,7-dihydropyrrolo[3,4-b]pyridin-5-one
• InChIKey: IPMQFUGFGHJSEI-UHFFFAOYSA-N
• INCHI: 1S/C7H6N2O/c10-7-5-2-1-3-8-6(5)4-9-7/h1-3H,4H2,(H,9,10)
• Isómeros SMILES: C1C2=C(C=CC=N2)C(=O)N1
• Peso molecular: 134.14
• Reaxy-Rn: 607271
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=607271&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolopyridines
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyridine - Pyridine - Heteroaromatic compound - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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)

SIRT3 Tchem NAD-dependent deacetylase sirtuin 3 (1285 Activities)

Discover Target: SIRT3

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

SIRT2 Tchem NAD-dependent deacetylase sirtuin 2 (3979 Activities)

Discover Target: SIRT2

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 134.140 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 134.048 Da
• Monoisotopic Mass: 134.048 Da
• Topological Polar Surface Area: 42.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 158.000
• 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