Halo PROTAC 1 | CAS 2241668-45-9 | AnyMole

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HIT212667767

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HIT212667767

HIT ID:HIT212667767
Cas No:2241668-45-9
常用名:Halo PROTAC 1
IUPAC:(2R)-3-({2-amino-9-[(4-chlorophenyl)methyl]-6-oxo-6,9-dihydro-3H-purin-8-yl}sulfanyl)-N-(21-chloro-3,6,9,12,15-pentaoxahenicosan-1-yl)-2-acetamidopropanamide
IUPAC:(2R)-3-({2-amino-9-[(4-chlorophenyl)methyl]-6-oxo-6,9-dihydro-3H-purin-8-yl}sulfanyl)-N-(21-chloro-3,6,9,12,15-pentaoxahenicosan-1-yl)-2-acetamidopropanamide
InChI key:PMKLWFIBYSGVNP-MHZLTWQESA-N

分子式:C33H49Cl2N7O8S
分子量:774.76
氢键供体数 (HBD):4
氢键受体数 (HBA):12
LogP:3.0009272
SMILES:CC(=O)N[C@@H](CSc1nc2c([nH]c(N)nc2=O)n1Cc1ccc(Cl)cc1)C(=O)NCCOCCOCCOCCOCCOCCCCCCCl
SMILES:CC(=O)N[C@@H](CSc1nc2c([nH]c(N)nc2=O)n1Cc1ccc(Cl)cc1)C(=O)NCCOCCOCCOCCOCCOCCCCCCCl

Halo PROTAC 1 is a PROTAC, which is a ligand having activity to bind to an intracellular proteins fused with HaloTag and a structure having activity to induce autophagy of an intracellular molecule are linked via a PEG linker[1].

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