2-(2,6-Dioxopiperidin-3-yl)-4-fluoroisoindoline-1,3-dione

Base Information

• Chemical Name: 2-(2,6-Dioxopiperidin-3-yl)-4-fluoroisoindoline-1,3-dione
• CAS No.: 835616-60-9
• Molecular Formula: C₁₃H₉FN₂O₄
• Molecular Weight: 276.224
• Hs Code.: 2933998090
• European Community (EC) Number: 830-714-5
• DSSTox Substance ID: DTXSID20474502
• Mol file: 835616-60-9.mol

Synonyms:2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;4-(18F)fluorothalidomide;4-fluorothalidomide

Chemical Property of 2-(2,6-Dioxopiperidin-3-yl)-4-fluoroisoindoline-1,3-dione

Chemical Property:

• Melting Point: 254-256°C
• Boiling Point: 520.9±45.0 °C(Predicted)
• PKA: 10.63±0.40(Predicted)
• PSA: 87.04000
• Density: 1.570±0.06 g/cm3(Predicted)
• LogP: 0.44070
• Storage Temp.: 2-8°C
• Solubility.: Dichloromethane (Slightly, Heated), DMSO (Slightly)
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 276.05463493
• Heavy Atom Count: 20
• Complexity: 507

Purity/Quality:

99% ^*data from raw suppliers

2-(2,6-Dioxo-3-piperidinyl)-4-fluoro-1H-isoindole-1,3(2H)-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)F
• Description: 4-Fluoro-thalidomide is the Thalidomide-based Cereblon ligand used in the recruitment of CRBN protein. It can be connected to the ligand for IRAK4 protein by a linker to form PROTAC IRAK4 degrader-1 (HY-129966).
• Uses: 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 (A6095150. 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.