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example 2 [WO2013004676] , CAS No.E610244, Inhibitor of beta-secretase 1;Inhibitor of beta-secretase 2

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example 2 [WO2013004676] , CAS No.E610244, Inhibitor of beta-secretase 1;Inhibitor of beta-secretase 2

Moligand™

PubChem CID: 71202307

Item Number

E610244

Grouped product items
SKU	Size	Availability	Price	Qty
E610244-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$600.90
E610244-25mg	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 beta-secretase 2 Inhibitor

Basic Description

Synonyms	entry 2
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 3 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)

Names and Identifiers

IUPAC Name	N-[3-[(1S,7S)-5-amino-4-thia-6-azabicyclo[5.1.0]oct-5-en-7-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
INCHI	InChI=1S/C18H16ClFN4OS/c19-11-1-4-15(22-9-11)16(25)23-12-2-3-14(20)13(7-12)18-8-10(18)5-6-26-17(21)24-18/h1-4,7,9-10H,5-6,8H2,(H2,21,24)(H,23,25)/t10-,18+/m1/s1
InChi Key	COCAUCFPFHUGAA-MGNBDDOMSA-N
Canonical SMILES	Clc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@]12N=C(N)SCC[C@@H]2C1)F
Isomeric SMILES	C1CSC(=N[C@@]2([C@H]1C2)C3=C(C=CC(=C3)NC(=O)C4=NC=C(C=C4)Cl)F)N
PubChem CID	71202307

Database links

PubChem CID	71202307
ChEMBL Ligand	CHEMBL2331712

Certificates

Certificate of Analysis(COA)

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References

1. Blass B. (2013) Cyclopropyl-Fused 1,3-Thiazepines as BACE1 and BACE2 Inhibitors.. ACS Med Chem Lett, 4 (4): (379-80). [PMID:24900681]

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