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MRK-560

CAT: 0804-HY-14174-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-14174-01Size:5 mg
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Description
MRK-560, a chemical probe, is an orally active, brain barrier-penetrated γ-Secretase inhibitor, reducing Aβ peptide in rat brain and cerebrospinal fluid. MRK-560 decreases mutant NOTCH1 processing by selectively inhibiting PSEN1. MRK-560 can be used in studies of Alzheimer's disease and T-cell acute lymphoblastic leukaemia (T-ALL) [1][2].
CAS Number
677772-84-8
UNSPSC
12352005
Hazard Statement
H315, H319
Target
γ-secretase
Type
Reference compound
Related Pathways
Neuronal Signaling; Stem Cell/Wnt
Applications
Neuroscience-Neurodegeneration
Field of Research
Cancer; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/mrk-560.html
Purity
99.51
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=S([C@]1(C2=C(C=CC(F)=C2)F)CC[C@H](NS(C(F)(F)F)(=O)=O)CC1)(C3=CC=C(Cl)C=C3)=O
Molecular Formula
C19H17ClF5NO4S2
Molecular Weight
517.92
Precautions
H315, H319
References & Citations
[1]Habets RA, et al. Safe targeting of T cell acute lymphoblastic leukemia by pathology-specific NOTCH inhibition. Sci Transl Med. 2019 May 29;11 (494) :eaau6246. |[2]Best JD, et al. In vivo characterization of Abeta (40) changes in brain and cerebrospinal fluid using the novel gamma-secretase inhibitor N-[cis-4-[ (4-chlorophenyl) sulfonyl]-4- (2,5-difluorophenyl) cyclohexyl]-1,1,1-trifluoromethanesulfonamide (MRK-560) in the rat. J Pharmacol Exp Ther.2006 May;317 (2) :786-90.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Mrk-560

a gamma-secretase inhibitor; MRK-560 is the (cis)-isomer; structure in first source

CAS Number677772-84-8
PubChem CID11577204
IUPAC NameN-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamide
Molecular FormulaC19H17ClF5NO4S2
Molecular Weight517.9
XLogP4.9
Topological Polar Surface Area97.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity856
SMILES
C1CC(CCC1NS(=O)(=O)C(F)(F)F)(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H17ClF5NO4S2/c20-12-1-4-15(5-2-12)31(27,28)18(16-11-13(21)3-6-17(16)22)9-7-14(8-10-18)26-32(29,30)19(23,24)25/h1-6,11,14,26H,7-10H2
InChIKey
WDZVWDXOIGQJIO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mrk-560
CAS: 677772-84-8
CID: 11577204
Formula: C19H17ClF5NO4S2
MW: 517.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight517.9
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass517.0207689
Monoisotopic Mass517.0207689
Topological Polar Surface Area97.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity856
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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