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Literature summary for 3.4.23.46 extracted from

  • Thompson, L.A.; Shi, J.; Decicco, C.P.; Tebben, A.J.; Olson, R.E.; Boy, K.M.; Guernon, J.M.; Good, A.C.; Liauw, A.; Zheng, C.; Copeland, R.A.; Combs, A.P.; Trainor, G.L.; Camac, D.M.; Muckelbauer, J.K.; Lentz, K.A.; Grace, J.E.; Burton, C.R.; Toyn, J.H.; Barten, D.M.; Marcinkeviciene, J.; Meredith, J.E.; Albright, C.F.
    Synthesis and in vivo evaluation of cyclic diaminopropane BACE-1 inhibitors (2011), Bioorg. Med. Chem. Lett., 21, 6909-6915.
    View publication on PubMed
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Crystallization (Commentary)

Crystallization (Comment) Organism
in complex with inhibitor (2S)-2-((3R)-3-acetamido-3-isobutyl-2-oxo-1-pyrrolidinyl)-N-((1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-2-(1,2,3,4-tetrahydro-3-isoquinolinyl)ethyl)-4-phenylbutanamide Mus musculus
in complex with inhibitor (2S)-2-((3R)-3-acetamido-3-isobutyl-2-oxo-1-pyrrolidinyl)-N-((1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-2-(1,2,3,4-tetrahydro-3-isoquinolinyl)ethyl)-4-phenylbutanamide Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
(2S)-2-((3R)-3-acetamido-3-isobutyl-2-oxo-1-pyrrolidinyl)-N-((1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-2-(1,2,3,4-tetrahydro-3-isoquinolinyl)ethyl)-4-phenylbutanamide crystallization data, EC50 value for HEK293 cells 10 nM Homo sapiens
(2S)-2-((S)-3-acetamido-3-((R)-sec-butyl)-2-oxopyrrolidin-1-yl)-N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((2R)-5-(propylsulfonyl)pyrrolidin-2-yl)propan-2-yl)-4-phenylbutanamide EC50 value for HEK293 cells 5 nM, shows apical to basolateral permeability of <15 nm/s in the bi-directional Caco-2 model Homo sapiens
(2S)-2-((S)-3-acetamido-3-((R)-sec-butyl)-2-oxopyrrolidin-1-yl)-N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((2R)-5-(propylsulfonyl)pyrrolidin-2-yl)propan-2-yl)-4-phenylbutanamide decreases amyloid beta1-40 in wild-type mice and has excellent blood/brain barrier penetration in the absence of P-glycoprotein, P-glycoprotein is the main factor limiting efficacy of this compound Mus musculus

Organism

Organism UniProt Comment Textmining
Homo sapiens P56817
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Mus musculus
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IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.000008
-
 pH not specified in the publication, temperature not specified in the publication Homo sapiens (2S)-2-((3R)-3-acetamido-3-isobutyl-2-oxo-1-pyrrolidinyl)-N-((1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-2-(1,2,3,4-tetrahydro-3-isoquinolinyl)ethyl)-4-phenylbutanamide