WAY-607354 - 10mM in DMSO , CAS No.452319-21-0

CAS: 452319-21-0 Cat. No.: W424059 Fórmula: C₁₂H₁₄N₂O₇ Peso molecular: 298.25 PubChem CID: 4341549

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

HIV-1 reverse transcriptase inhibitor

Specifications

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Propiedades del producto

ALogP

0.518

Recuento HBD

1

Enlace rotable

7

Nombres e identificadores

Pubchem Sid

528768154

Sonrisas canónicas

C1CC(OC1)CNC(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-]

IUPAC Name

[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 5-nitrofuran-2-carboxylate

InChIKey

ZHONJLIWJDULBP-UHFFFAOYSA-N

INCHI

1S/C12H14N2O7/c15-10(13-6-8-2-1-5-19-8)7-20-12(16)9-3-4-11(21-9)14(17)18/h3-4,8H,1-2,5-7H2,(H,13,15)

Isómeros SMILES

C1CC(OC1)CNC(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-]

PubChem CID

4341549

Peso molecular

298.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Furans
      • Subclass Furoic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Furans
• Subclass: Furoic acid and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Furoic acid esters
• Alternative Parents: Nitroaromatic compounds Nitrofurans Oxolanes Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds Organopnictogen compounds Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Furoic acid ester - Nitroaromatic compound - 2-nitrofuran - Oxolane - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Oxacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic zwitterion - Organic nitrogen compound - Organopnictogen compound - Organic salt - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as furoic acid esters. These are ester derivatives of furoic acid.
• 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 (no humanos)

pol Human immunodeficiency virus type 1 reverse transcriptase (18245 Activities)

Discover Target: pol

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

Mecanismos de acción

Propiedades químicas y físicas

• DMSO (mM) Solubilidad máxima: 10