2,6-Dimethylquinoline - ≥98% , CAS No.877-43-0

CAS: 877-43-0 Cat. No.: D136801 Fórmula: C₁₁H₁₁N Peso molecular: 157.22 Beilstein Registry Number: 20408 Número CE: 212-891-5

GRAU & PUREZA ≥98%

Synonyms

Quinoline, 2,6-dimethyl | Quinoline, 2,6-dimethyl- | AMY28857 | Z56969311 | D1236 | p-Toluquinaldine | EINECS 212-891-5 | F17612 | PD158272 | 2.6-Dimethylquinoline | FT-0633059 | EU-0000308 | SB67469 | NSC-1782 | AS-48061 | SY016998 | DTXSID0044153 | SCHE

Storage

Room temperature,Argon charged

Shipped In

Normal

Visão geral

2,6-Dimethylquinoline was used to study the inhibition potencies (IC50 values) of structurally diverse chemicals with recombinant human CYP2B6 enzyme for in vitro research purposes.

Especificações

Sinónimos

Quinoline, 2,6-dimethyl | Quinoline, 2,6-dimethyl- | AMY28857 | Z56969311 | D1236 | p-Toluquinaldine | EINECS 212-891-5 | F17612 | PD158272 | 2.6-Dimethylquinoline | FT-0633059 | EU-0000308 | SB67469 | NSC-1782 | AS-48061 | SY016998 | DTXSID0044153 | SCHE

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

2,6-Dimethylquinoline is the chemical constituent present in roots of Peucedantu praeruptorum. It is a potential inhibitor of cytochrome P450 1A2 activity.

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504752450

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752450

Sorrisos canónicos

CC1=CC2=C(C=C1)N=C(C=C2)C

IUPAC Name

2,6-dimethylquinoline

InChIKey

JJPSZKIOGBRMHK-UHFFFAOYSA-N

INCHI

1S/C11H11N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3-7H,1-2H3

SMILES isoméricas

CC1=CC2=C(C=C1)N=C(C=C2)C

WGK Alemanha

3

Peso molecular

157.22

Beilstein

20408

Reaxy-Rn

2545

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2545&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Methylpyridines Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Methylpyridine - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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

CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

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

Alvos associados (não humanos)

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

Discover Target: Cyp2a5

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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Air Sensitive
• Ponto de ebulição (°C): 267 °C
• Ponto de fusão (°C): 58 °C
• Peso molecular: 157.210 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 157.089 Da
• Monoisotopic Mass: 157.089 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 155.000
• 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