5-LOX-IN-4 - ≥98% , CAS No.125235-15-6

CAS: 125235-15-6 Cat. No.: L647639 Peso molecular: 424.56 PubChem CID: 132150

GRADE & PURITY ≥98%

Synonyms

1-Ethyl-3-{4-[4-(4-hydroxy-phenyl)-piperazin-1-yl]-phenyl}-5,5-dimethyl-2-thioxo-imidazolidin-4-one | 5-Lipoxygenase-In-1 | MS-27470 | (1-Ethyl-3(4-(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl)-5-dimethyl)-2-thioxo-4-imidazolidinone | 1-ethyl-3-[4-[4-(4-hydr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

5-LOX-IN-4 is a 5-Lipoxygenase inhibitor extracted from patent EP 331232 A2, table 4, compound example 4.10.

Form:Solid

IC50& Target:5-Lipoxygenase

Specifications

Sinónimos

1-Ethyl-3-{4-[4-(4-hydroxy-phenyl)-piperazin-1-yl]-phenyl}-5, 5-dimethyl-2-thioxo-imidazolidin-4-one | 5-Lipoxygenase-In-1 | MS-27470 | (1-Ethyl-3(4-(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl)-5-dimethyl)-2-thioxo-4-imidazolidinone | 1-ethyl-3-[4-[4-(4-hydr

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

5-LOX-IN-4 is a 5-Lipoxygenase inhibitor extracted from patent EP 331232 A2, table 4, compound example 4.10.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

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

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCN1C(=S)N(C(=O)C1(C)C)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O
• IUPAC Name: 1-ethyl-3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one
• InChIKey: AHWDHLCCXRVAIC-UHFFFAOYSA-N
• INCHI: 1S/C23H28N4O2S/c1-4-26-22(30)27(21(29)23(26,2)3)19-7-5-17(6-8-19)24-13-15-25(16-14-24)18-9-11-20(28)12-10-18/h5-12,28H,4,13-16H2,1-3H3
• Isómeros SMILES: CCN1C(=S)N(C(=O)C1(C)C)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O
• CAS alternativo: 138331-04-1
• PubChem CID: 132150
• Términos de entrada MeSH: (1-ethyl-3(4-(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl)-5-dimethyl)-2-thioxo-4-imidazolidinone;R 68151;R-68151
• Peso molecular: 424.56

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Phenylimidazolidines N-phenylthioureas Alpha amino acids and derivatives p-Aminophenols Dialkylarylamines Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids Imidazolidinones Thioureas Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylpiperazine - Phenylpiperazine - Phenylimidazolidine - Alpha-amino acid or derivatives - N-phenylthiourea - P-aminophenol - Aminophenol - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Imidazolidinone - Benzenoid - Imidazolidine - Thiourea - Amino acid or derivatives - Tertiary amine - Azacycle - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine 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)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 250 mg/mL (588.84 mM; Need ultrasonic)
• Peso molecular: 424.600 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 424.193 Da
• Monoisotopic Mass: 424.193 Da
• Topological Polar Surface Area: 82.400 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 633.000
• 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