UK-1 - ≥98% , CAS No.151271-53-3

CAS: 151271-53-3 Cat. No.: U274972 Peso molecular: 386.4 PubChem CID: 127748

GRADE & PURITY ≥98%

Synonyms

J-008796 | 2''-(2-Hydroxy-phenyl)-[2,4'']bibenzooxazolyl-4-carboxylic acid methyl ester | 2'-(2-hydroxyphenyl)-[2,4'-bibenzoxazole]-4-carboxylic acid, methyl ester | [2,4'-Bibenzoxazole]-4-carboxylic acid, 2'-(2-hydroxyphenyl)-, methyl ester | SCHEMBL1197

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

J-008796 | 2''-(2-Hydroxy-phenyl)-[2, 4'']bibenzooxazolyl-4-carboxylic acid methyl ester | 2'-(2-hydroxyphenyl)-[2, 4'-bibenzoxazole]-4-carboxylic acid, methyl ester | [2, 4'-Bibenzoxazole]-4-carboxylic acid, 2'-(2-hydroxyphenyl)-, methyl ester | SCHEMBL1197

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Topoisomerase II (Topo II) inhibitor. Antibacterial, antifungal and anticancer compound.

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.

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. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: COC(=O)C1=C2C(=CC=C1)OC(=N2)C3=C4C(=CC=C3)OC(=N4)C5=CC=CC=C5O
• IUPAC Name: methyl 2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate
• InChIKey: NGKIDJMAXLRJRL-UHFFFAOYSA-N
• INCHI: 1S/C22H14N2O5/c1-27-22(26)14-8-5-11-17-19(14)24-21(29-17)13-7-4-10-16-18(13)23-20(28-16)12-6-2-3-9-15(12)25/h2-11,25H,1H3
• Isómeros SMILES: COC(=O)C1=C2C(=CC=C1)OC(=N2)C3=C4C(=CC=C3)OC(=N4)C5=CC=CC=C5O
• PubChem CID: 127748
• Peso molecular: 386.4

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Oxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl-1,3-oxazoles
• Alternative Parents: Benzoxazoles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Methyl esters Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenyl-1,3-oxazole - Benzoxazole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by 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)

TOP2A Tclin DNA topoisomerase II alpha (6317 Activities)

Discover Target: TOP2A

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

HL-60 (67320 Activities)

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

MCF7 (126967 Activities)

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

PC-3 (62116 Activities)

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

Objetivos asociados (no humanos)

Hepatitis C virus (23859 Activities)

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

P388 (20296 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO
• Peso molecular: 386.400 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 386.09 Da
• Monoisotopic Mass: 386.09 Da
• Topological Polar Surface Area: 98.600 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 604.000
• 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