Thalidomide-NH-C4-NH2 TFA | CAS 2093387-50-7 | AnyMole

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HIT212668437

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HIT212668437

HIT ID:HIT212668437
Cas No:2093387-50-7
常用名:Thalidomide-NH-C4-NH2 TFA
IUPAC:4-[(4-aminobutyl)amino]-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione; trifluoroacetic acid
IUPAC:4-[(4-aminobutyl)amino]-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione; trifluoroacetic acid
InChI key:UEWVCAGWITUEQS-UHFFFAOYSA-N

分子式:C19H21F3N4O6
分子量:458.394
氢键供体数 (HBD):3
氢键受体数 (HBA):6
LogP:-0.24279405
SMILES:OC(=O)C(F)(F)F.NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
SMILES:OC(=O)C(F)(F)F.NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12

Thalidomide-NH-C4-NH2 TFA (compound 29c) is a conjugate consisting of an E3 ligase ligand-linker, incorporating the Thalidomide-based cereblon ligand and a linker moiety. This compound, Thalidomide-NH-C4-NH2 TFA, is utilized as a component in PROTAC BRD2/BRD4 degrader-1, which is a highly potent and selective degrader targeting BET proteins BRD4 and BRD2[1].

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