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Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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SKU | Size | Availability | Price | Qty |
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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 |
Synonyms | compound 37;compound 2 |
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Grade | Moligand™ |
Action Type | INHIBITOR |
Mechanism of action | Inhibitor of beta-secretase 1 |
Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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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 |
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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 |
PubChem CID | 60202321 |
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ChEMBL Ligand | CHEMBL2181911 |
RCSB PDB Ligand | 0K9 |
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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] |