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(1R,3S,4S,5R)-3-[(4-amino-3-fluoro-5-{[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy}phenyl)methyl]-5-{[(3-tert-butylphenyl)methyl]amino}-4-hydroxy-1λ⁴-thian-1-one , CAS No.R608654, Inhibitor of beta-secretase 1

  • Moligand™
Item Number
R608654
Grouped product items
SKUSizeAvailabilityPrice Qty
R608654-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$570.90
R608654-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,000.90
View related series
beta-secretase 1 Inhibitor

Basic Description

Synonymscompound 11d
GradeMoligand™
Action TypeINHIBITOR
Mechanism of actionInhibitor of beta-secretase 1

Associated Targets

CYP3A4 Tclin Cytochrome P450 3A4 1 Activities

Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

CTSD Tchem Cathepsin D 1 Activities

Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

BACE1 Tchem Beta-secretase 1 3 Activities

Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

Names and Identifiers

IUPAC Name (1R,3S,4S,5R)-3-[(4-amino-3-fluoro-5-{[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy}phenyl)methyl]-5-{[(3-tert-butylphenyl)methyl]amino}-4-hydroxy-1λ4-thian-1-one
INCHI InChI=1S/C27H36F4N2O4S/c1-26(2,3)19-7-5-6-16(9-19)12-33-21-15-38(35)14-18(25(21)34)8-17-10-20(28)24(32)22(11-17)37-23(13-36-4)27(29,30)31/h5-7,9-11,18,21,23,25,33-34H,8,12-15,32H2,1-4H3/t18-,21+,23-,25+,38-/m1/s1
InChi Key FIUDDEQHPBHZBI-XPLIUGCLSA-N
Canonical SMILES COC[C@H](C(F)(F)F)Oc1cc(C[C@@H]2C[S@@](=O)C[C@@H]([C@H]2O)NCc2cccc(c2)C(C)(C)C)cc(c1N)F
Isomeric SMILES CC(C)(C)C1=CC=CC(=C1)CN[C@H]2C[S@](=O)C[C@H]([C@@H]2O)CC3=CC(=C(C(=C3)F)N)O[C@H](COC)C(F)(F)F
PubChem CID 51003469

Certificates

Certificate of Analysis(COA)

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Related Documents

References

1. Rueeger H, Lueoend R, Machauer R, Veenstra SJ, Jacobson LH, Staufenbiel M, Desrayaud S, Rondeau JM, Möbitz H, Neumann U.  (2013)  Discovery of cyclic sulfoxide hydroxyethylamines as potent and selective β-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid β-peptides..  Bioorg Med Chem Lett,  23  (19): (5300-6).  [PMID:23981898]

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