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(2R)-N-[(2S,3R)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl]-2-methoxypropanamide , CAS No.R609081, Inhibitor of beta-secretase 1

  • Moligand™
Item Number
R609081
Grouped product items
SKUSizeAvailabilityPrice Qty
R609081-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$570.90
R609081-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,000.90
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beta-secretase 1 Inhibitor

Basic Description

Synonymscompound 37;compound 2
GradeMoligand™
Action TypeINHIBITOR
Mechanism of actionInhibitor of beta-secretase 1

Associated Targets

BACE1 Tchem Beta-secretase 1 3 Activities

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

Names and Identifiers

IUPAC Name (2R)-N-[(2S,3R)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl]-2-methoxypropanamide
INCHI InChI=1S/C33H44N4O4S/c1-21(40-5)29(39)37-26(16-22-8-6-9-24(14-22)31-34-12-13-42-31)28(38)20-35-27-18-33(10-7-11-33)41-30-25(27)15-23(19-36-30)17-32(2,3)4/h6,8-9,12-15,19,21,26-28,35,38H,7,10-11,16-18,20H2,1-5H3,(H,37,39)/t21-,26+,27+,28-/m1/s1
InChi Key IUSARDYWEPUTPN-OZBXUNDUSA-N
Canonical SMILES CO[C@@H](C(=O)N[C@H]([C@@H](CN[C@H]1CC2(CCC2)Oc2c1cc(cn2)CC(C)(C)C)O)Cc1cccc(c1)c1nccs1)C
Isomeric SMILES C[C@H](C(=O)N[C@@H](CC1=CC(=CC=C1)C2=NC=CS2)[C@@H](CN[C@H]3CC4(CCC4)OC5=C3C=C(C=N5)CC(C)(C)C)O)OC
PubChem CID 60202321

Certificates

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Related Documents

References

1. Dineen TA, Weiss MM, Williamson T, Acton P, Babu-Khan S, Bartberger MD, Brown J, Chen K, Cheng Y, Citron M et al..  (2012)  Design and synthesis of potent, orally efficacious hydroxyethylamine derived β-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors..  J Med Chem,  55  (21): (9025-44).  [PMID:22468684]
2. Wood S, Wen PH, Zhang J, Zhu L, Luo Y, Babu-Khan S, Chen K, Pham R, Esmay J, Dineen TA et al..  (2012)  Establishing the relationship between in vitro potency, pharmacokinetic, and pharmacodynamic parameters in a series of orally available, hydroxyethylamine-derived β-secretase inhibitors..  J Pharmacol Exp Ther,  343  (2): (460-7).  [PMID:22911925]

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