Dt-2216
(2S,4R)-1-[(2S)-2-[[7-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-7-oxoheptanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
Molecular Identity
Dt-2216
(2S,4R)-1-[(2S)-2-[[7-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-7-oxoheptanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
PubChem CID: 139331475
2D Structure
Properties
C77H96ClF3N10O10S4
Molecular Formula
1542.40
Molecular Weight
g/mol
1540.5834
Exact Mass
Da
12.8
XLogP
Above Lipinski threshold
321
TPSA
May have limited oral absorption
5
H-Bond Donors
20
H-Bond Acceptors
3130
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(SC=N1)C2=CC=C(C=C2)C(C)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCCCCC(=O)N4CCN(CC4)CCC(CSC5=CC=CC=C5)NC6=C(C=C(C=C6)S(=O)(=O)NC(=O)C7=CC=C(C=C7)N8CCN(CC8)CC9=C(CCC(C9)(C)C)C1=CC=C(C=C1)Cl)S(=O)(=O)C(F)(F)F)OIsomeric SMILES
SMILES: CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCC(=O)N4CCN(CC4)CC[C@H](CSC5=CC=CC=C5)NC6=C(C=C(C=C6)S(=O)(=O)NC(=O)C7=CC=C(C=C7)N8CCN(CC8)CC9=C(CCC(C9)(C)C)C1=CC=C(C=C1)Cl)S(=O)(=O)C(F)(F)F)OSynonyms(20)
DT22162365172-42-3DT-2216Y8JQ9V7JAJDt 2216(2S,4R)-1-[(2S)-2-[[7-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-7-oxoheptanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide(2S,4R)-1-((2S)-2-((7-(4-((3R)-3-(4-((4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl)methyl)piperazin-1-yl)benzoyl)sulfamoyl)-2-(trifluoromethylsulfonyl)anilino)-4-phenylsulfanylbutyl)piperazin-1-yl)-7-oxoheptanoyl)amino)-3,3-dimethylbutanoyl)-4-hydroxy-N-((1S)-1-(4-(4-methyl-1,3-thiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamideRefChem:135874APTaD DT2216PROTAC DT2216Bcl-XL Degrader DT2216Bcl-XL PROTAC DT2216BCL-XL-specific PROTAC DT2216PROTAC Bcl-XL Deagrader DT2216Bcl-XL Proteolysis Targeting Chimera DT2216
Data from PubChem (NCBI)
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