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(4S)-3'-(3,6-dihydro-2H-pyran-5-yl)-1'-fluoro-7'-(3-fluoropyridin-2-yl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine , CAS No.S608754, Inhibitor of beta-secretase 1

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(4S)-3'-(3,6-dihydro-2H-pyran-5-yl)-1'-fluoro-7'-(3-fluoropyridin-2-yl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine , CAS No.S608754, Inhibitor of beta-secretase 1

Moligand™

PubChem CID: 67436561

Item Number

S608754

Grouped product items
SKU	Size	Availability	Price	Qty
S608754-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$700.90
S608754-25mg	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

Synonyms	example 385 [US8883782];compound 15
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of beta-secretase 1

Associated Targets

BACE1 Tchem Beta-secretase 1 3 Activities

Discover Target: BACE1

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	(4S)-3'-(3,6-dihydro-2H-pyran-5-yl)-1'-fluoro-7'-(3-fluoropyridin-2-yl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
INCHI	InChI=1S/C24H18F2N4O3/c25-17-4-1-7-28-20(17)13-5-6-19-15(9-13)24(12-32-23(27)30-24)16-10-18(14-3-2-8-31-11-14)29-22(26)21(16)33-19/h1,3-7,9-10H,2,8,11-12H2,(H2,27,30)/t24-/m0/s1
InChi Key	HGRWHBQLRXWSLV-DEOSSOPVSA-N
Canonical SMILES	NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c2cc(nc1F)C1=CCCOC1)c1ncccc1F
Isomeric SMILES	C1COCC(=C1)C2=NC(=C3C(=C2)[C@]4(COC(=N4)N)C5=C(O3)C=CC(=C5)C6=C(C=CC=N6)F)F
PubChem CID	67436561

Database links

PubChem CID	67436561
ChEMBL Ligand	CHEMBL3394220

Certificates

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References

1. Cheng Y, Brown J, Judd TC, Lopez P, Qian W, Powers TS, Chen JJ, Bartberger MD, Chen K, Dunn 2nd RT et al.. (2015) An Orally Available BACE1 Inhibitor That Affords Robust CNS Aβ Reduction without Cardiovascular Liabilities.. ACS Med Chem Lett, 6 (2): (210-5). [PMID:25699151]

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