Tak-243
[(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate
Molecular Identity
Tak-243
[(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate
PubChem CID: 71715374
2D Structure
Properties
C19H20F3N5O5S2
Molecular Formula
519.50
Molecular Weight
g/mol
519.0858
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
186
TPSA
May have limited oral absorption
4
H-Bond Donors
13
H-Bond Acceptors
804
Complexity
SMILES
Canonical SMILES
SMILES: C1C(C(C(C1NC2=CC=NC3=CC(=NN23)C4=CC(=CC=C4)SC(F)(F)F)O)O)COS(=O)(=O)NIsomeric SMILES
SMILES: C1[C@@H]([C@H]([C@H]([C@@H]1NC2=CC=NC3=CC(=NN23)C4=CC(=CC=C4)SC(F)(F)F)O)O)COS(=O)(=O)NSynonyms(20)
TAK-2431450833-55-2MLN7243MLN-7243Uae inhibitor MLN7243V9GGV0YCDISulfamic acid, [(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[3-[(trifluoromethyl)thio]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl esterTAK 243[(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamateAOB87172((1R,2R,3S,4R)-2,3-Dihydroxy-4-((2-(3-(trifluoromethylsulfanyl)phenyl)pyrazolo(1,5-a)pyrimidin-7-yl)amino)cyclopentyl)methyl sulfamateSulfamic acid, ((1R,2R,3S,4R)-2,3-dihydroxy-4-((2-(3-((trifluoromethyl)thio)phenyl)pyrazolo(1,5-a)pyrimidin-7-yl)amino)cyclopentyl)methyl ester((1R,2R,3S,4R)-2,3-dihydroxy-4-((2-(3-((trifluoromethyl)sulfanyl)phenyl)pyrazolo(1,5-a)pyrimidin-7-yl)amino)cyclopentyl)methyl sulfamate{(1R,2R,3S,4R)-2,3-Dihydroxy-4-[(2-{3-[(trifluoromethyl)sulfanyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl}methyl sulfamateRefChem:187185
Data from PubChem (NCBI)
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