Thalidomide-O-amido-PEG3-C2-NH2 hydrochloride
Basic information
- CAS
2245697-84-9- Standard SMILES
Cl.NCCOCCOCCOCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O- InChIKey
ORRMBTUTYKQYQU-UHFFFAOYSA-N- Molecular formula
- C23H31ClN4O9
- Average molar mass
- 543 g/mol
Names & identifiers
- Preferred name
- Thalidomide-O-amido-PEG3-C2-NH2 hydrochloride
- IUPAC
- N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;hydrochloride
- English name
- Thalidomide-O-amido-PEG3-C2-NH2 hydrochloride
- Molecular formula
- C23H31ClN4O9
- Molecular weight
- 542.97
Names & synonyms
2245697-84-9Thalidomide-O-amido-PEG3-C2-NH2 hydrochlorideN-(2-(2-(2-(2-aminoethoxy)ethoxy)ethoxy)ethyl)-2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)acetamide hydrochlorideMFCD31656717Thalidomide 4'-oxyacetamide-PEG3-amineThalidomide-O-amido-PEG3-C2-NH2 HClThalidomide-O-amido-PEG3-C2-NH2 (hydrochloride)N-(2-(2-(2-(2-Aminoethoxy)ethoxy)ethoxy)ethyl)-2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)acetamidehydrochlorideThalidomide - linker 1N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxo-3-piperidyl)-1,3-dioxo-isoindolin-4-yl]oxy-acetamide;hydrochlorideN-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;hydrochlorideN-[2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]acetamide hydrochloride
Show more names
-ether-PEG3-amineThalidomide 4’-oxyacetamide-PEG3-amine-oxyacetamide-alkylC8-amineThalidomide-O-amido-PEG3-NH2 hydrochlorideAcetamide,?N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]-, hydrochloride (1:1)
orb1909205SCHEMBL22263346EX-A3951AKOS034834084AT18350HY-107440ADA-58497PD080389
Database identifiers
- CAS
2245697-84-9
Properties
Computed structural properties
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 15
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 808
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- color
- Off-white to yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesThalidomide-O-amido-PEG3-C2-NH2 hydrochloride is a synthesized E3 ligase ligand-linker conjugate that incorporates the Thalidomide based cereblon ligand and 3-unit PEG linker used in PROTAC technology[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…