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ChemicalBook--->CAS DataBase List--->1286770-55-5

1286770-55-5

1286770-55-5 Structure

1286770-55-5 Structure
IdentificationBack Directory
[Name]

MK-8931
[CAS]

1286770-55-5
[Synonyms]

CS-2556
SCH900931
SCH-900931
SCH 900931
MK-8931-009
Verubecestat
MK-8931(Verubecestat)
MK8931;MK 8931;MK-8931
Verubecestat (MK-8931)
Verubecestat free base
MK-8931 Trifluoroacetat
MK-8931; MK 8931; MK8931; MK-8931-009; SCH 900931; SCH-900931; SCH900931; VERUBECESTAT FREE BASE,
(R)-N-(3-(3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl)-5-fluoropicolinamide
N-[3-[(5R)-3-Amino-5,6-dihydro-2,5-dimethyl-1,1-dioxido-2H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-fluoro-2-pyridinecarboxamide
2-Pyridinecarboxamide, N-[3-[(5R)-3-amino-5,6-dihydro-2,5-dimethyl-1,1-dioxido-2H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-fluoro-
[Molecular Formula]

C17H17F2N5O3S
[MDL Number]

MFCD28963974
[MOL File]

1286770-55-5.mol
[Molecular Weight]

409.41
Chemical PropertiesBack Directory
[Melting point ]

160-162oC
[density ]

1.52±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Store in freezer, under -20°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

9.92±0.70(Predicted)
[color ]

White
Hazard InformationBack Directory
[Uses]

Verubecestat is used in a β-site amyloid precursor protein cleaving enzyme I inhibitor of treatment of alzheimer’s disease.
[Biological Activity]

ki: 2.2 and 3.4 nm for human and mouse bace1, respectivelyverubecestat (mk-8931) is a bace1 inhibitor.β-amyloid (aβ) peptides are regarded to be involved in the etiology of ad. bace1 is required for the aβ production, and bace1 inhibition is therefore an promising target for the ad treatment.
[in vitro]

verubecestat has been identified as a potent inhibitor of both human and mouse bace1 and verubecestat could also inhibit the production of ab40, ab42, and sappb in human cells with similar potency. verubecestat was also found to be a potent inhibitor of purified human bace2. moreover, verubecestat was essentially inactive with over 45,000-fold selectivity in the purified human aspartyl proteases cathepsin d, cathepsin e, and pepsin and had a very weak inhibitor of purified human renin with 15,000-fold selectivity. in addition, verubecestat was also found to have minimal or no activity against various tested receptors, ion channels, transporters, as well as enzymes [1].
[in vivo]

verubecestat could reduce plasma, cerebrospinal fluid, and brain concentrations of aβ40, aβ42, and sappβ after acute and chronic administration to both rats and monkeys. moreover, the chronic treatment of rats and monkeys with verubecestat at exposures >40-fold higher than those tested in
[storage]

Store at -20°C
[References]

[1] kennedy me et al. the bace1 inhibitor verubecestat (mk-8931) reduces cns β-amyloid in animal models and in alzheimer's disease patients. sci transl med.2016 nov 2;8(363):363ra150.
Spectrum DetailBack Directory
[Spectrum Detail]

MK-8931(1286770-55-5)1HNMR
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