LY-2811376

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H14F2N4S
Molecular Weight	320.36
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@]1(CCSC(N)=N1)C2=CC(=C(F)C=C2F)C3=CN=CN=C3

InChI

InChIKey=MJQMRGWYPNIERM-HNNXBMFYSA-N

InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H14F2N4S
Molecular Weight	320.36
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/22090477

LY2811376 is a non-peptide inhibitor of BACE1 selective over BACE2. It showed robust central reduction of amyloid-β in humans.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Beta-secretase 1 21 Target ID: CHEMBL4822 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22090477	Inhibitor 8297		240.0 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Alzheimer’s disease 272 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25404952	Primary		Phase I 428	Unknown Approved Use Unknown

Overview

CYP3A4	CYP2C9	CYP2D6	hERG

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
BACE-1 1

Drug as perpetrator

Target	Modality	Activity	Metabolite	Clinical evidence
BACE-1 1	inhibitor 3277 Sources: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6633289/	yes [IC50 0.239 uM]

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY100540	https://www.001chemical.com/chem/search?q=DY100540
1PlusChem LLC	1P000J6P	https://www.1pchem.com/search?query=1P000J6P
A2B Chem	AA24065	http://a2bchem.com/prod/AA24065
AChemBlock	10349	http://www.achemblock.com/catalogsearch/result/?q=10349
AK Scientific	Y0285	https://aksci.com/item_detail.php?cat=Y0285
AOBIOUS INC	AOB87121	http://aobious.com/aobious/search?search_query=AOB87121
ApexBio Technology	A4020	https://www.apexbt.com/catalogsearch/result/?q=A4020
AstaTech	31033	http://astatechinc.com/CPSResult.php?CRNO=31033
Axon MedChem	2225	https://www.axonmedchem.com/product/2225
BOC Sciences	1194044-20-6	http://www.bocsci.com/description.asp?cas=1194044-20-6
BioSynth	J-501480	https://www.biosynth.com/en/products/life-science/other-biochemicals/products/J-501480
Capot Chemical	22470	https://www.capotchem.com/search.do?q=22470
Cayman Chemical	16712	http://www.caymanchem.com/app/template/Product.vm/catalog/16712
Chem Scene	CS-0987	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-0987
ChemShuttle	104840	https://www.chemshuttle.com/catalogsearch/result/?q=104840
Combi-Blocks	QJ-3394	http://www.combi-blocks.com/cgi-bin/find.cgi?QJ-3394
Excenen	EX-A094	http://www.excenen.com/searchresultlist.php?id=EX-A094
Fluorochem	223913	http://www.fluorochem.co.uk/Products/Product?code=223913
Fluorochem	306994	http://www.fluorochem.co.uk/Products/Product?code=306994
KeyOrganics	AS-31771	http://www.keyorganicsinc.com/bionet/catalogsearch/result?q=AS-31771
Lab Network	LN00191102	https://labnetwork.com/frontend-app/p/#!/moleculedetails/LN00191102
Lab Seeker	SC-94337	http://www.labseeker.com/search.php?keywords=SC-94337&category=0
LabSeeker	SC-94337	http://www.labseeker.com/search.php?keywords=SC-94337&category=0
Matrix Scientific	94168	http://www.matrixscientific.com/094168.html
MedChem Express	HY-10472	https://www.medchemexpress.com/search.html?q=HY-10472&ft=&fa=&fp=
MolPort	MolPort-009-679-511	https://www.molport.com/shop/molecule-link/MolPort-009-679-511
MolPort	MolPort-046-416-857	https://www.molport.com/shop/molecule-link/MolPort-046-416-857
Molcore	MC100540	http://www.molcore.com/CatMC100540.html
Molnova	M10676	https://www.molnova.com/en/serch-list.html?keywords=M10676
Ryan Scientific	101-94184	https://ryansci.com/products?q=101-94184&list_q=&search_type=exact
ShangHai Biochempartner	BCP000270	http://www.biochempartner.com/search_BCP000270
ShangHai Biochempartner	BCP02221	http://www.biochempartner.com/search_BCP02221
ShangHai Biochempartner	BCP24326	http://www.biochempartner.com/search_BCP24326
TargetMol	T2639	https://www.targetmol.com/search?keyword=T2639
eMolecules	108759150	https://orderbb.emolecules.com/search/#?query=108759150
eMolecules	44455328	https://orderbb.emolecules.com/search/#?query=44455328
eMolecules	44811563	https://orderbb.emolecules.com/search/#?query=44811563
eNovation Chemicals	D575071	https://www.enovationchem.com/Products.asp?SEARCHTEXT=D575071&searchbtn.x=0&searchbtn.y=0
mcule	MCULE-1402012735	https://mcule.com/MCULE-1402012735/
mcule	MCULE-9964232465	https://mcule.com/MCULE-9964232465/

PubMed

Title	Date	PubMed
Robust central reduction of amyloid-β in humans with an orally available, non-peptidic β-secretase inhibitor.	2011 Nov 16	22090477

Patents

Sample Use Guides

In Vivo Use Guide

IN phase I studies LY2811376 was administered to healthy volunteers as oral capsules in a doses ranging from 5mg up to 500 mg once a day or twice a day for 1 day in up to 3 periods.

Route of Administration: Oral

In Vitro Use Guide

Human BACE1 was cloned, expressed, and purified, and assayed using a synthetic peptide in a FRET format or using a MBP–C125Swe polypeptide substrate assay.

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:51:02 GMT 2023` Edited by `admin` on `Sat Dec 16 11:51:02 GMT 2023`
Record UNII	UR18YJ97SJ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

LY-2811376

Common Name

English

LY2811376

Code

English

4H-1,3-THIAZIN-2-AMINE, 4-(2,4-DIFLUORO-5-(5-PYRIMIDINYL)PHENYL)-5,6-DIHYDRO-4-METHYL-, (4S)-

Systematic Name

English

(4S)-4-(2,4-DIFLUORO-5-(5-PYRIMIDINYL)PHENYL)-5,6-DIHYDRO-4-METHYL-4H-1,3-THIAZINE-2-AMINE

Systematic Name

English

J3.079.793K

Code

English

Code System Code Type Description

FDA UNII

UR18YJ97SJ