EN450 - Moligand™, ≥98% , ubiquitin conjugating enzyme E2 D1, CAS No.793719-01-4, ubiquitin conjugating enzyme E2 D1

CAS: 793719-01-4 Cat. No.: E610116 Molecular Weight: 288.75 PubChem CID: 4877041

GRADE & PURITY Moligand™, ≥98%

Synonyms

N-(2-Chloro-5-(N,N-dimethylsulfamoyl)phenyl)acrylamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

EN450 is a cysteine-responsive covalent molecular gel degrader of targeted NF-κB with antiproliferative and potentially anticancer activity, which acts through a dependence on Cullin E3 ligase and protease, and can be used to study leukemia.

Specifications

Synonyms

N-(2-Chloro-5-(N, N-dimethylsulfamoyl)phenyl)acrylamide

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

EN450 is a molecular glue degraders of the oncogenic transcription factor NFKB1 that induces ternary complex formation between ubiquitin-conjugating enzyme E2D1 (UBE2D1) and NFKB1. EN450 covalently modifies an allosteric C111 in UBE2D1 and significantly r

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.

Grade

Moligand™

Action Type

DEGRADER

Mechanism of action

ubiquitin conjugating enzyme E2 D1

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 528764355
• Canonical Smiles: CN(C)S(=O)(=O)C1=CC=C(Cl)C(NC(=O)C=C)=C1
• IUPAC Name: N-[2-chloro-5-(dimethylsulfamoyl)phenyl]prop-2-enamide
• InChIKey: OXFXDOLAQBMOPH-UHFFFAOYSA-N
• INCHI: 1S/C11H13ClN2O3S/c1-4-11(15)13-10-7-8(5-6-9(10)12)18(16,17)14(2)3/h4-7H,1H2,2-3H3,(H,13,15)
• Isomeric SMILES: CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C=C
• PubChem CID: 4877041
• Molecular Weight: 288.75

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: Benzenesulfonyl compounds Anilides N-arylamides Chlorobenzenes Organosulfonamides Aryl chlorides Aminosulfonyl compounds Acrylic acids and derivatives Secondary carboxylic acid amides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Anilide - Benzenesulfonyl group - N-arylamide - Chlorobenzene - Halobenzene - Aryl halide - Organosulfonic acid amide - Aryl chloride - Acrylic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic 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)

UBE2D1 Tbio Ubiquitin-conjugating enzyme E2 D1 (0 Activities)

Discover Target: UBE2D1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Molecular Weight: 288.750 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 288.034 Da
• Monoisotopic Mass: 288.034 Da
• Topological Polar Surface Area: 74.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 416.000
• 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