Products for Research Use Only
RegisterLogin

Verubecestat (MK-8931)

CAT: 1568-C13500-01Size: 5 mgDry Ice: YesHazardous: No
Product image 1
1 / 1
CAT#:1568-C13500-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1286770-55-5
SKU
C13500-5mg
Target
BACE
Applications
Neuronal Signaling
Smiles
CC1 (CS (=O) (=O) N (C (=N1) N) C) C2=C (C=CC (=C2) NC (=O) C3=NC=C (C=C3) F) F
Molecular Formula
C17H17F2N5O3S
Additionnal Information
Verubecestat (MK-8931) is a potent and selective beta-secretase (also known as Beta-site APP-cleaving enzyme 1) inhibitor.
Storage Conditions
2 years -80 in solvent

Chemical Information

Verubecestat

Verubecestat is under investigation for the treatment of Alzheimer's Disease, Prodromal Alzheimer's disease, and Amnestic Mild Cognitive Impairment. Verubecestat is Merck’s investigational oral β-site amyloid precursor protein cleaving enzyme (BACE1 or β secretase) inhibitor. In July 2013, Merck announced positive results for Phase Ib trials of Verubecestat. In the study, administration of Verubecestat at doses of 12, 40 and 60 mg resulted in a dose-dependent and sustained reduction in the levels of Ab40, a measure of BACE1 activity, in CSF from baseline of 57, 79 and 84 percent, respectively.

CAS Number1286770-55-5
PubChem CID51352361
IUPAC NameN-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
Molecular FormulaC17H17F2N5O3S
Molecular Weight409.4
XLogP0.6
Topological Polar Surface Area126
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity744
SMILES
C[C@]1(CS(=O)(=O)N(C(=N1)N)C)C2=C(C=CC(=C2)NC(=O)C3=NC=C(C=C3)F)F
InChI
InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1
InChIKey
YHYKUSGACIYRML-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of Verubecestat
CAS: 1286770-55-5
CID: 51352361
Formula: C17H17F2N5O3S
MW: 409.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.4
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass409.10201692
Monoisotopic Mass409.10201692
Topological Polar Surface Area126 Ų
Heavy Atom Count28
Formal Charge0
Complexity744
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
C07568-5mgMK-8245
C07568-50mgMK-8245
C07568-10mM/1mLMK-8245
C08756-5mgMK-0752
C08756-1gMK-0752
C16979-10mgMK-0752
C16979-10mM/1mLMK-0752
C08840-5mgMK-2048
C17053-10mgMK-2048
C08844-50mgMK-5108

Alternative Products

CatalogName
MBS579527Verubecestat (MK-8931)
A16113-100Verubecestat (MK-8931) 100mg
S8173-1gVerubecestat (MK-8931) Trifluoroacetate
A16113-500Verubecestat (MK-8931) 500mg
A16113-2Verubecestat (MK-8931) 2mg
A16113-25Verubecestat (MK-8931) 25mg
SF1183-100mgVerubecestat (MK-8931) (BACE1/2 inhibitor)
A16113-10mM-DVerubecestat (MK-8931) 10mM * 1mL in DMSO
B1315-5MK-8931
468645-01Verubecestat

Popular Products