(Benzenesulfonylfuran-2-ylmethylamino)-acetic acid - ≥98% , CAS No.337494-85-6

CAS: 337494-85-6 Cat. No.: W416736 Molecular Weight: 295.32

GRADE & PURITY ≥98%

Synonyms

CBMicro_021633 | EU-0076004 | N-(furan-2-ylmethyl)-N-(phenylsulfonyl)glycine | Oprea1_144757 | 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid | DTXSID00351983 | 2-{N-[(furan-2-yl)methyl]benzenesulfonamido}acetic acid | BIM-0021651.P001 | STL025594

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

altering the lifespan of a eukaryotic organism

Specifications

Synonyms

CBMicro_021633 | EU-0076004 | N-(furan-2-ylmethyl)-N-(phenylsulfonyl)glycine | Oprea1_144757 | 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid | DTXSID00351983 | 2-{N-[(furan-2-yl)methyl]benzenesulfonamido}acetic acid | BIM-0021651.P001 | STL025594

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504759962
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759962
• Canonical Smiles: C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CO2)CC(=O)O
• IUPAC Name: 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid
• InChIKey: CJROUZFQNICTKL-UHFFFAOYSA-N
• INCHI: 1S/C13H13NO5S/c15-13(16)10-14(9-11-5-4-8-19-11)20(17,18)12-6-2-1-3-7-12/h1-8H,9-10H2,(H,15,16)
• Isomeric SMILES: C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CO2)CC(=O)O
• Molecular Weight: 295.32
• Reaxy-Rn: 29219923
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29219923&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Alpha amino acids and derivatives Benzenesulfonyl compounds Organosulfonamides Heteroaromatic compounds Furans Aminosulfonyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Organosulfonic acid amide - Furan - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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

Associated Targets(Human)

POLB Tchem DNA polymerase beta (23632 Activities)

Discover Target: POLB

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

HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

Discover Target: HSD17B10

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

POLH Tchem DNA polymerase eta (21678 Activities)

Discover Target: POLH

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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 295.310 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 295.051 Da
• Monoisotopic Mass: 295.051 Da
• Topological Polar Surface Area: 96.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 425.000
• 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