Basic information
- CAS
14149-34-9- Standard SMILES
O=C1CCC(c2ccccc2)C(=O)N1- InChIKey
KAKZYGLQCHMNGS-UHFFFAOYSA-N- Molecular formula
- C11H11NO2
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.07897859
Overview
metabolite of glutethimide; structure
Names & identifiers
- Preferred name
- 3-Phenyl-2,6-piperidinedione
- IUPAC
- 3-phenylpiperidine-2,6-dione
- English name
- 3-Phenylpiperidine-2,6-dione
- Molecular formula
- C11H11NO2
- Molecular weight
- 189.21
Names & synonyms
2,6-Piperidinedione, 3-phenyl-14149-34-93-Phenyl-2,6-piperidinedionealpha-PhenylglutarimideRefChem:9116033-phenylpiperidine-2,6-dione2-PhenylglutarimideE3 ligase Ligand PGGlutarimide, 2-phenyl-.alpha.-Phenylglutarimide3T25LKQ6TXMFCD19369901
Show more names
a-PhenylglutarimidDESETHYLGLUTETHIMIDEUNII-3T25LKQ6TXorb2646190SCHEMBL2107934CHEMBL5438915SCHEMBL292077083-phenyl-piperi-dine-2,6-dione
Database identifiers
- CAS
14149-34-9- PubChem CID
- 85686
- DTXSID
DTXSID20931105- ChEMBL
CHEMBL5438915- UNII
- 3T25LKQ6TX
- Nikkaji
- J75.664D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 143 · 143-144 °C
- Boiling point
- 392.3 · 392.3±31.0 °C(Predicted)
- Density
- 1.185 · 1.185±0.06 g/cm3(Predicted)
- pka
- 11.32 · 11.32±0.40(Predicted)
- InChI
- InChI=1S/C11H11NO2/c13-10-7-6-9(11(14)12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13,14)
- InChIKey
- KAKZYGLQCHMNGS-UHFFFAOYSA-N
- SMILES
- N1C(=O)CCC(C2=CC=CC=C2)C1=O
- FDA UNII
- 3 T25LKQ6TX · 3T25LKQ6TX
Chemistry & industry
Applications
UsesE3 ligase Ligand PG is a E3 ligase ligand that can be used in the recruitment of CRBN protein. E3 ligase Ligand PG exhibits potent binding activity with CRBN (IC50 of 2.191 μM). E3 ligase Ligand PG can be connected to the BMS-202 (HY-19745) by a linker to form PROTAC, PROTAC PD-L1 degrader-1 (HY-163757)[1].
Suppliers6 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
康羽生命科学技术（苏州）有限公司18605123100 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
天津启格科技有限公司13012205621 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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