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(6S)-2-amino-6-[3-chloro-5-(5-prop-1-ynylpyridin-3-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one , CAS No.S608774, Inhibitor of beta-secretase 1

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(6S)-2-amino-6-[3-chloro-5-(5-prop-1-ynylpyridin-3-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one , CAS No.S608774, Inhibitor of beta-secretase 1

Moligand™

PubChem CID: 66575082

Item Number

S608774

Grouped product items
SKU	Size	Availability	Price	Qty
S608774-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$700.90
S608774-25mg	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	0V6;compound 16
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of beta-secretase 1

Associated Targets

BACE1 Tchem Beta-secretase 1 4 Activities

Discover Target: BACE1

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

BACE2 Tchem Beta-secretase 2 0 Activities

Discover Target: BACE2

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

Names and Identifiers

IUPAC Name	(6S)-2-amino-6-[3-chloro-5-(5-prop-1-ynylpyridin-3-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
INCHI	InChI=1S/C18H17ClN4OS/c1-4-5-11-6-12(10-21-9-11)14-7-13(19)16(25-14)18(2)8-15(24)23(3)17(20)22-18/h6-7,9-10H,8H2,1-3H3,(H2,20,22)/t18-/m0/s1
InChi Key	IJYPXSRDUPWKPB-SFHVURJKSA-N
Canonical SMILES	CC#Cc1cncc(c1)c1cc(c(s1)[C@]1(C)CC(=O)N(C(=N1)N)C)Cl
Isomeric SMILES	CC#CC1=CC(=CN=C1)C2=CC(=C(S2)[C@@]3(CC(=O)N(C(=N3)N)C)C)Cl
PubChem CID	66575082

Database links

PubChem CID	66575082
ChEMBL Ligand	CHEMBL2151181
RCSB PDB Ligand	0V6

Certificates

Certificate of Analysis(COA)

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References

1. Stamford AW, Scott JD, Li SW, Babu S, Tadesse D, Hunter R, Wu Y, Misiaszek J, Cumming JN, Gilbert EJ et al.. (2012) Discovery of an Orally Available, Brain Penetrant BACE1 Inhibitor that Affords Robust CNS Aβ Reduction.. ACS Med Chem Lett, 3 (11): (897-902). [PMID:23412139]

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