Thalidomide fluoride - ≥98% , CAS No.835616-60-9

CAS: 835616-60-9 Cat. No.: T304742 Molecular Weight: 276.22 EC Number: 830-714-5 PubChem CID: 11859051

GRADE & PURITY ≥98%

Synonyms

E3 ligase Ligand 4 | E3 ligase Ligand 4(TC-E3 5032) | MFCD11840666 | FT-0774298 | LCZC1115 | US11059801, Compound D-14 | 4-Fluoro-thalidomide | MS-0703 | TC E3 5032;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindoline-1,3-dione | Thalidomide fluoride | 2-(2,6-

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

2-(2,6-Dioxo-3-piperidinyl)-4-fluoro-1H-isoindole-1,3(2H)-dione is an intermediate in the synthesis of N-[2-Aminoethyl] Pomalidomide TFA Salt (N-[2-Aminoethyl] Pomalidomide TFA is a thalidomide derivative, a potent inhibitor of TNF-α production. It is an anti-inflammatory and anti-tumor agent used in the treatment of multiple myeloma.

Specifications

Synonyms

E3 ligase Ligand 4 | E3 ligase Ligand 4(TC-E3 5032) | MFCD11840666 | FT-0774298 | LCZC1115 | US11059801, Compound D-14 | 4-Fluoro-thalidomide | MS-0703 | TC E3 5032;2-(2, 6-dioxopiperidin-3-yl)-4-fluoroisoindoline-1, 3-dione | Thalidomide fluoride | 2-(2, 6-

Specifications & Purity

≥98%

Storage

Protected from light, 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

≥98%

Names and Identifiers

• Pubchem Sid: 504766792
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766792
• Canonical Smiles: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)F
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione
• InChIKey: CRAUTELYXAAAPW-UHFFFAOYSA-N
• INCHI: 1S/C13H9FN2O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5H2,(H,15,17,18)
• Isomeric SMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)F
• PubChem CID: 11859051
• Molecular Weight: 276.22

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 Delta lactams Aryl fluorides N-substituted carboxylic acid imides Benzenoids Vinylogous halides N-unsubstituted carboxylic acid imides Dicarboximides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Alpha-amino acid or derivatives - Isoindole - Piperidinedione - Delta-lactam - Piperidinone - Aryl fluoride - Aryl halide - Carboxylic acid imide, n-substituted - Benzenoid - Piperidine - Carboxylic acid imide - Dicarboximide - Vinylogous halide - Carboxylic acid imide, n-unsubstituted - Lactam - Azacycle - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - 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

Chemical and Physical Properties

• Solubility: Dichloromethane (Slightly, Heated), DMSO (Slightly)
• Sensitivity: Light & Heat & Air sensitive
• Boil Point(°C): 520.9±45.0 °C(Predicted)
• Melt Point(°C): 254-256℃
• Molecular Weight: 276.220 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 276.055 Da
• Monoisotopic Mass: 276.055 Da
• Topological Polar Surface Area: 83.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 507.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. SiJia Lin, Lin Wang, Xue Dong, ZiYi Wang, Jin Cao, Xueyong Qi, Lin Wu, Jing Zhang, Song Shen.  (2025)  Precision Ferroptosis Amplification via SLC7A11-Directed Proteasomal Degradation for Enhanced Cancer Therapy.  Advanced Healthcare Materials,      [PMID:41467569] [10.1002/adhm.202504602]

2. ZiYi Wang, SiJia Lin, Xue Dong, Jin Cao, Rong Zhao, Lin Wu, Song Shen.  (2026)  Targeted Degradation of Dipeptidyl Peptidase-4 via Proteolysis-Targeting Chimera Technology for Sustained Glycemic Control in Type 2 Diabetes.  JOURNAL OF MEDICINAL CHEMISTRY,      [PMID:] [10.1021/acs.jmedchem.5c03270]