10-benzyl-2-(2-chlorophenyl)-7,8,9,11-tetrahydro-3H-pyrazolo[4,5]pyrido[5,6-a][1,4]diazepine-1,5-dione - Moligand™ , Inhibitor of cytochrome b-245 beta chain;Inhibitor of NADPH oxidase 1;Inhibitor of NADPH oxidase 4;Inhibitor of NADPH oxidase 5, CAS No.B6, Inhibitor of cytochrome b-245 beta chain;Inhibitor of NADPH oxidase 1;Inhibitor of NADPH oxidase 4;Inhibitor of NADPH oxidase 5

CAS: B609411 Cat. No.: B609411 PubChem CID: 51035721

GRADE & PURITY Moligand™

Synonyms

compound 7c

Storage

Room temperature

Specifications

Sinónimos

compound 7c

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of cytochrome b-245 beta chain;Inhibitor of NADPH oxidase 1;Inhibitor of NADPH oxidase 4;Inhibitor of NADPH oxidase 5

Nombres e identificadores

• Sonrisas canónicas: Clc1ccccc1n1[nH]c2c(c1=O)c1CN(CCCn1c(=O)c2)Cc1ccccc1
• IUPAC Name: 10-benzyl-2-(2-chlorophenyl)-7,8,9,11-tetrahydro-3H-pyrazolo[4,5]pyrido[5,6-a][1,4]diazepine-1,5-dione
• InChIKey: DISVMXDWAMMVLT-UHFFFAOYSA-N
• INCHI: 1S/C23H21ClN4O2/c24-17-9-4-5-10-19(17)28-23(30)22-18(25-28)13-21(29)27-12-6-11-26(15-20(22)27)14-16-7-2-1-3-8-16/h1-5,7-10,13,25H,6,11-12,14-15H2
• Isómeros SMILES: C1CN(CC2=C3C(=CC(=O)N2C1)NN(C3=O)C4=CC=CC=C4Cl)CC5=CC=CC=C5
• PubChem CID: 51035721

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Pyridodiazepines Benzylamines Phenylmethylamines Aralkylamines Pyridinones Chlorobenzenes Aryl chlorides Pyrazolones Heteroaromatic compounds Vinylogous amides Lactams Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpyrazole - Pyrido-para-diazepine - Benzylamine - Phenylmethylamine - Chlorobenzene - Halobenzene - Pyridinone - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrazolinone - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Tertiary amine - Tertiary aliphatic amine - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl 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

Objetivos asociados (humanos)

CYBB Tchem Cytochrome b-245 heavy chain (1 Activities)

Discover Target: CYBB

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NOX1 Tchem NADPH oxidase 1 (1 Activities)

Discover Target: NOX1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NOX4 Tchem NADPH oxidase 4 (1 Activities)

Discover Target: NOX4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NOX5 Tchem NADPH oxidase 5 (1 Activities)

Discover Target: NOX5

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)