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1158264-69-7

1158264-69-7 Structure

1158264-69-7 Structure
IdentificationBack Directory
[Name]

3-(5-(aminomethyl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione hydrochloride
[CAS]

1158264-69-7
[Synonyms]

3-(5-(aminomethyl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione hydrochloride
3-[5-(aminomethyl)-1-oxo-2,3-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione hydrochloride
[Molecular Formula]

C14H16ClN3O3
[MDL Number]

MFCD31794744
[MOL File]

1158264-69-7.mol
[Molecular Weight]

309.75
Chemical PropertiesBack Directory
[solubility ]

DMSO : 16.67 mg/mL (53.82 mM; ultrasonic and warming and heat to 60°C)
[form ]

Solid
[color ]

Off-white to light yellow
[InChI]

InChI=1S/C14H15N3O3.ClH/c15-6-8-1-2-10-9(5-8)7-17(14(10)20)11-3-4-12(18)16-13(11)19;/h1-2,5,11H,3-4,6-7,15H2,(H,16,18,19);1H
[InChIKey]

XTILEMYXOZKSFJ-UHFFFAOYSA-N
[SMILES]

O=C1C2=CC=C(CN)C=C2CN1C1CCC(=O)NC1=O.Cl
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H319-H302-H315
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Hazard InformationBack Directory
[Description]

3-(5-(Aminomethyl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione hydrochloride is used in the recruitment of the cereblon protein and used as a PROTAC linker.
[Uses]

Lenalidomide-5-aminomethyl hydrochloride is the Lenalidomide-based cereblon (CRBN) ligand used in the recruitment of CRBN protein. Lenalidomide-5-aminomethyl hydrochloride can be connected to the ligand for protein by a linker to form PROTAC[1]
[IC 50]

Cereblon
[References]

[1] Scheepstra M, et al. Bivalent Ligands for Protein Degradation in Drug Discovery. Comput Struct Biotechnol J. 2019;17:160-176. Published 2019 Jan 25. DOI:10.1016/j.csbj.2019.01.006
[2] Nalawansha DA, et al. PROTACs: An Emerging Therapeutic Modality in Precision Medicine. Cell Chem Biol. 2020;27(8):998-985. DOI:10.7554/eLife.57277
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