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

CAS: 452319-21-0 Cat. No.: W424059 Formule: C₁₂H₁₄N₂O₇ Poids moléculaire: 298.25 PubChem CID: 4341549

QUALITÉ & PURETÉ 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

HIV-1 reverse transcriptase inhibitor

Spécifications

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Propriétés du produit

ALogP

0.518

Nombre de HBD

1

Liaison rotative

7

Noms et identifiants

Pubchem Sid

528768154

Sourires canoniques

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)

Isomères SMILES

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

PubChem CID

4341549

Poids moléculaire

298.25

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Cibles associées (non humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• DMSO (mM) Solubilité maximale: 10