ChemicalBook CAS DataBase List 1262036-50-9

1262036-50-9

Name	LY2886721
CAS	1262036-50-9
Molecular Formula	C18H16F2N4O2S
MDL Number	MFCD22124078
Molecular Weight	390.41
MOL File	1262036-50-9.mol

Synonyms

4-d][1 CS-367 LY2886721 N-(3-((4aS LY2886721HCL 7aS)-2-amino-4a LY2886721, >=98% LY2886721 HCL SALT LY2886721 USP/EP/BP LY2886721/LY-2886721 7a-tetrahydro-4H-furo[3 3]thiazin-7a-yl)-4-fluorophenyl)-5-fluoropicolinamide N-(3-((4AS,7aS)-2-amino-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-7a-yl)-4-fluorophenyl) N-(3-((4aS,7aS)-2-aMino-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-7a-yl)-4-fluorophenyl)-5-fluoropicolinaMide N-[3-[(4aS,7aS)-2-Amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl]-5-fluoro-2-pyridinecarboxamide 2-Pyridinecarboxamide, N-[3-[(4aS,7aS)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl]-5-fluoro- LY 2886721;LY-2886721;N-(3-((4AS;7AS)-2-AMINO-4A;5;7;7A-TETRAHYDRO-4H-FURO[3;4-D][1;3]THIAZIN-7A-YL)-4-FLUOROPHENYL)-5-FLUOROPICOLINAMIDE N-[3-[(4aS,7aS)-2-Amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl]-5-fluoro-2-pyridinecarboxamide LY2886721

Chemical Properties

density	1.57
storage temp.	Store at -20°C
solubility	insoluble in H2O; insoluble in EtOH; ≥19.52 mg/mL in DMSO
form	solid
pka	10.08±0.70(Predicted)
color	White to off-white
InChI	InChI=1S/C18H16F2N4O2S/c19-11-1-4-15(22-6-11)16(25)23-12-2-3-14(20)13(5-12)18-9-26-7-10(18)8-27-17(21)24-18/h1-6,10H,7-9H2,(H2,21,24)(H,23,25)/t10-,18-/m0/s1
InChIKey	NIDRNVHMMDAAIK-YPMLDQLKSA-N
SMILES	C1(C(NC2=CC=C(F)C([C@]34COC[C@@]3([H])CSC(N)=N4)=C2)=O)=NC=C(F)C=C1

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H302-H315-H319-H335
Precautionary statements	P261-P305+P351+P338
WGK Germany	WGK 3
Storage Class	11 - Combustible Solids

Hazard Information

Biological Activity

ly2886721 is an oral and furothiazine-based inhibitor of β site-amyloid protein cleaving enzyme (bace) with ic50 of 20.3nm. this product has the potency for the treatment of alzheimer's disease.bace, also known as beta-secretase 1, is an aspartic-acid protease that plays important role in the formation of myelin sheaths in peripheral nerve cells.in pdapp mice, oral administration of ly2886721 resulted in a reduction in brain aβ, c99 and sappβ in a dose-dependent pattern 2. aβ levels in the brain were decreased by 20% -65% as compared with the vehicle-treated groups 3 hours after treatment of ly2886721 at a dosage of 3-30 mg/kg per mice. in addition, ly2886721 significantly lowers plasma and csf aβs in the mad study 1.

in vitro

treatment of ly2886721 leads to the inhibition of aβ in hek293swe with ic50 of 18.7nm and pdapp neuronal culture with ic50 10.7 nm1. ly2886721 decreases csf sappβ and increases csf sappα in a dose- dependent manner 2.

in vivo

LY2886721 (3-30 mg/kg; oral administration; PDAPP mice) treatment significantly reduces the hippocampal and cortical levels of Aβ_1-x. LY2886721 treatment results in significant reduction of brain parenchymal levels of C99 and sAPPβ^[1].

Animal Model:	Female hemizygous APPV717F transgenic mice (PDAPP) (2-3 months old)^[1]
Dosage:	3 mg/kg, 10 mg/kg, 30 mg/kg
Administration:	Oral administration
Result:	Hippocampal and cortical levels of Aβ_1-x were significantly reduced.

target

BACE

IC 50

BACE1

References

1. vassar r. bace1 inhibitor drugs in

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