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RO5508887 , CAS No.R613255, Inhibitor of beta-secretase 1;Inhibitor of beta-secretase 2

Moligand™

PubChem CID: 53241828

Item Number

R613255

Grouped product items
SKU	Size	Availability	Price	Qty
R613255-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
R613255-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,383.90

View related series

beta-secretase 1 Inhibitor beta-secretase 2 Inhibitor

Basic Description

Synonyms	BACE1-IN-1\|1310347-50-2\|B67UFT75QS\|RG7129\|N-[3-[(4r)-2-Azanylidene-5,5-Bis(Fluoranyl)-4-Methyl-1,3-Oxazinan-4-Yl]-4-Fluoranyl-Phenyl]-5-Cyano-Pyridine-2-Carboxamide\|UNII-B67UFT75QS\|CHEMBL2347215\|RO-5508887\|2-Pyridinecarboxamide, N-(3-((4R)-2-amino-5,5-dif
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of beta-secretase 1;Inhibitor of beta-secretase 2

Associated Targets

BACE1 Tchem Beta-secretase 1 1 Activities

Discover Target: BACE1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

BACE2 Tchem Beta-secretase 2 1 Activities

Discover Target: BACE2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

APH1A Tbio Gamma-secretase subunit APH-1A 0 Activities

Discover Target: APH1A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 0 Activities

Discover Target: KCNH2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

IUPAC Name	N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
INCHI	InChI=1S/C18H14F3N5O2/c1-17(18(20,21)9-28-16(23)26-17)12-6-11(3-4-13(12)19)25-15(27)14-5-2-10(7-22)8-24-14/h2-6,8H,9H2,1H3,(H2,23,26)(H,25,27)/t17-/m1/s1
InChi Key	DVMUZHLUMHPCGZ-QGZVFWFLSA-N
Canonical SMILES	N#Cc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@@]1(C)N=C(N)OCC1(F)F)F
Isomeric SMILES	C[C@]1(C(COC(=N1)N)(F)F)C2=C(C=CC(=C2)NC(=O)C3=NC=C(C=C3)C#N)F
PubChem CID	53241828

PubChem CID

53241828

ChEMBL Ligand

CHEMBL2347215

RCSB PDB Ligand

6Z0

References

1. Hilpert H, Guba W, Woltering TJ, Wostl W, Pinard E, Mauser H, Mayweg AV, Rogers-Evans M, Humm R, Krummenacher D et al.. (2013) β-Secretase (BACE1) inhibitors with high in vivo efficacy suitable for clinical evaluation in Alzheimer's disease.. J Med Chem, 56 (10): (3980-95). [PMID:23590342]
2. Jacobsen H, Ozmen L, Caruso A, Narquizian R, Hilpert H, Jacobsen B, Terwel D, Tanghe A, Bohrmann B. (2014) Combined treatment with a BACE inhibitor and anti-Aβ antibody gantenerumab enhances amyloid reduction in APPLondon mice.. J Neurosci, 34 (35): (11621-30). [PMID:25164658]

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