WAY-607354 - ≥98% , CAS No.452319-21-0

CAS: 452319-21-0 Cat. No.: W417622 Summenformel: C₁₂H₁₄N₂O₇ Molekulargewicht: 298.25 PubChem CID: 4341549

GRADE & PURITY ≥98%

Synonyms

2-Furancarboxylic acid, 5-nitro-, 2-oxo-2-[[(tetrahydro-2-furanyl)methyl]amino]ethyl ester

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

HIV-1 reverse transcriptase inhibitor

Specifications

Synonyme

2-Furancarboxylic acid, 5-nitro-, 2-oxo-2-[[(tetrahydro-2-furanyl)methyl]amino]ethyl ester

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Produkteigenschaften

ALogP

0.518

HBD-Zahl

1

Rotationsfähige Bindung

7

Namen und Kennungen

Pubchem Sid

488194822

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194822

Kanonisches Lächeln

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)

Isomere SMILES

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

PubChem CID

4341549

Molekulargewicht

298.25

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10