4-((7-Aminoheptyl)amino)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
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Basic information
- CAS
2093387-55-2- Standard SMILES
NCCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O- InChIKey
BVTLQQPLXRAFBQ-UHFFFAOYSA-N- Molecular formula
- C20H26N4O4
- Average molar mass
- 386.4 g/mol
Names & identifiers
- Preferred name
- 4-((7-Aminoheptyl)amino)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
- IUPAC
- 4-(7-aminoheptylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
- English name
- 4-[(7-Aminoheptyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione HCl
- Molecular formula
- C20H26N4O4
- Molecular weight
- 386.44
Names & synonyms
2093387-55-2Pomalidomide-C7-NH24-((7-aminoheptyl)amino)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dioneThalidomide-4-NH-C7-NH2orb1303339SCHEMBL19451416Pomalidomide-C7-amine, HCl saltMFCD317308354-[(7-aminoheptyl)amino]-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dioneBP-40583SY294364DB-136937
Show more names
Pomalidomide-C7-NH2 hydrochloride4-((7-aminohexyl)amino)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione4-[(7-Aminoheptyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione HCl4-[(7-Aminoheptyl)amino]-2-(2,6-dioxo-3-piperidinyl)-1H-isoindole-1,3(2H)-dione4-((7-AMINOHEPTYL)AMINO)-2-(2,6-DIOXOPIPERIDIN-3-YL)ISOINDOLINE-1,3-DIONE HYDROCHLORIDE
HY-155560T400044-(7-aminoheptylamino)-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione4-[(7-Aminoheptyl)amino]-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione1H-Isoindole-1,3(2H)-dione, 4-[(7-aminoheptyl)amino]-2-(2,6-dioxo-3-piperidinyl)-4-[(7-Aminoheptyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione, HCl saltPomalidomideC7NH2 hydrochloride,Pomalidomide C7 NH2 hydrochloride,Pomalidomide-C-7-NH2 hydrochloride
Database identifiers
- CAS
2093387-55-2
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 623
Physicochemical properties
- Boiling point
- 652.8 · 652.8±55.0 °C(Predicted)
- Density
- 1.314 · 1.314±0.06 g/cm3(Predicted)
- pka
- 10.75 · 10.75±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesPomalidomide-C7-NH2 (Pomalidomide 4'-alkylC7-amine) (Compound 24g) is an E3 Ligase Ligand-Linker Conjugates consisting of Pomalidomide (HY-10984) and a linker. Pomalidomide-C7-NH2 can be used for synthesis of PROTACs[1].
Related reactions
0 records
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Compound notes
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