Homo-PROTAC cereblon degrader 1 - ≥99% , CAS No.2244520-98-5

CAS: 2244520-98-5 Cat. No.: H412807 Molecular Weight: 660.63

GRADE & PURITY ≥99%

Synonyms

OUN209854,4'-(((ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(azanediyl))bis(2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione)

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Application

230

Overview

Information

Homo-PROTAC cereblon degrader 1 Homo-PROTAC cereblon degrader 1 (OUN20985) is a potent and efficient cereblon (CRBN) degrader with minimal effects on IKZF1 and IKZF3.

Targets

CRBN

Specifications

Synonyms

OUN209854, 4'-(((ethane-1, 2-diylbis(oxy))bis(ethane-2, 1-diyl))bis(azanediyl))bis(2-(2, 6-dioxopiperidin-3-yl)isoindoline-1, 3-dione)

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Homo-PROTAC cereblon degrader 1 (OUN20985) is a potent and efficient cereblon (CRBN) degrader with minimal effects on IKZF1 and IKZF3.

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504773502
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773502
• Canonical Smiles: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCNC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione
• InChIKey: OXIPFLHBDVDLDS-UHFFFAOYSA-N
• INCHI: 1S/C32H32N6O10/c39-23-9-7-21(27(41)35-23)37-29(43)17-3-1-5-19(25(17)31(37)45)33-11-13-47-15-16-48-14-12-34-20-6-2-4-18-26(20)32(46)38(30(18)44)22-8-10-24(40)36-28(22)42/h1-6,21-22,33-34H,7-16H2,(H,35,39,41)(H,36,40,42)
• Isomeric SMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCNC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O
• Molecular Weight: 660.63
• Reaxy-Rn: 33437816
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33437816&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Isoindoles and derivatives
      • Subclass Isoindolines
        • Level5 Isoindolones
          • Level6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Alpha amino acids and derivatives Isoindoles Piperidinediones Secondary alkylarylamines Delta lactams N-substituted carboxylic acid imides Benzenoids Vinylogous amides N-unsubstituted carboxylic acid imides Dicarboximides Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Alpha-amino acid or derivatives - Isoindole - Piperidinedione - Secondary aliphatic/aromatic amine - Piperidinone - Delta-lactam - Benzenoid - Piperidine - Carboxylic acid imide, n-substituted - Vinylogous amide - Carboxylic acid imide, n-unsubstituted - Dicarboximide - Carboxylic acid imide - Lactam - Amino acid or derivatives - Azacycle - Secondary amine - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
• 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)

CRBN Tclin Cereblon/Ikaros (139 Activities)

Discover Target: CRBN

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 100 mg/mL (151.37 mM); Water: Insoluble; Ethanol: Insoluble
• Molecular Weight: 660.600 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 13
• Exact Mass: 660.218 Da
• Monoisotopic Mass: 660.218 Da
• Topological Polar Surface Area: 210.000 Ų
• Heavy Atom Count: 48
• Formal Charge: 0
• Complexity: 1260.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1