Pomalidomide-amino-PEG4-NH2 hydrochloride
Basic information
- CAS
2331259-45-9- Standard SMILES
Cl.NCCOCCOCCOCCOCC(=O)Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O- InChIKey
HFCHLXYVKQEGTC-UHFFFAOYSA-N- Molecular formula
- C23H31ClN4O9
- Average molar mass
- 543 g/mol
- Monoisotopic mass
- 542.1779563
Names & identifiers
- Preferred name
- Pomalidomide-amino-PEG4-NH2 hydrochloride
- IUPAC
- 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;hydrochloride
- English name
- Pomalidomide-PEG4-NH2 hydrochloride
- Molecular weight
- 542.97
Names & synonyms
2331259-45-9Pomalidomide-amino-PEG4-NH2 hydrochloridePomalidomide-amino-PEG4-NH2 (hydrochloride)Pomalidomide-amino-PEG4-NH2 HCl14-Amino-N-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)-3,6,9,12-tetraoxatetradecan-1-amide hydrochloride14-AMINO-N-(2-(2,6-DIOXOPIPERIDIN-3-YL)-1,3-DIOXOISOINDOLIN-4-YL)-3,6,9,12-TETRAOXATETRADECANAMIDE HYDROCHLORIDEorb1690997HCl NH2-PEG4-CH2CO-PomaMFCD32173792Pomalidomide-PEG4-NH2 hydrochlorideAKOS040757562HY-138859A
Show more names
Acetamide, 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]-, hydrochloride (1:1)
Thalidomide-4-amido-C1-PEG4-NH2 HCl2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide;hydrochlorideDA-56984MS-29990Pomalidomide-amino-PEG4-NH2(hydrochloride)CS-0169548E85786T39867
Database identifiers
- CAS
2331259-45-9- PubChem CID
- 139035831
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
- Melting point
- 98 · 98-109°C
- storage temp.
- 2 · 2-8°C
- solubility
- 250 mg/mL · DMSO : 250 mg/mL (460.43 mM; Need ultrasonic)
- form
- Solid
- color
- White to yellow
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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-P305+P351+P338
Chemistry & industry
Applications
UsesProtein degrader builiding block Pomalidomide-PEG4-NH2 (HCl salt) enables the synthesis of molecules for targeted protein degradation and PROTAC (proteolysis-targeting chimeras) technology. This conjugate contains a Cereblon (CRBN)-recruiting ligand and a PEGylated crosslinker with pendant amine for reactivity with a carboxyl group on the target ligand. Because even slight alterations in ligands and crosslinkers can affect ternary complex formation between the target, E3 ligase, and PROTAC, many analogs are prepared to screen for optimal target degradation. When used with other protein degrader building blocks with a pendant amine, parallel synthesis can be used to more quickly generate PROTAC libraries that feature variation in crosslinker length, composition, and E3 ligase ligand.
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