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Gamma-secretase modulator 5

CAT: 0804-HY-150050Size: 1 EachDry Ice: NoHazardous: No
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Description
Gamma-secretase modulator 5 (compound 22d) is a brain-penetrant gamma-secretase modulator (GSMs) that inhibits the production of the aggregated amyloid β-peptide Aβ42 with an IC50 value of 60 nM. gamma-secretase modulator 5 can be used in the study of Alzheimer's disease[1].
CAS Number
1353570-53-2
UNSPSC
12352005
Target
Amyloid-β
Type
Reference compound
Related Pathways
Neuronal Signaling
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/gamma-secretase-modulator-5.html
Solubility
10 mM in DMSO
Smiles
CC1=CN(C2=CC=C(C3=CSC(NC4=C5C(CCCC5)=NN4CC)=N3)N=C2OC)C=N1
Molecular Formula
C22H25N7OS
Molecular Weight
435.55
References & Citations
[1]Kevin D Rynearson, et al. Design and synthesis of novel methoxypyridine-derived gamma-secretase modulators. Bioorg Med Chem. 2020 Nov 15;28 (22) :115734.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

gamma-Secretase modulator 5
CAS Number1353570-53-2
PubChem CID56592447
IUPAC NameN-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
Molecular FormulaC22H25N7OS
Molecular Weight435.5
XLogP4.1
Topological Polar Surface Area111
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity600
SMILES
CCN1C(=C2CCCCC2=N1)NC3=NC(=CS3)C4=NC(=C(C=C4)N5C=C(N=C5)C)OC
InChI
InChI=1S/C22H25N7OS/c1-4-29-20(15-7-5-6-8-16(15)27-29)26-22-25-18(12-31-22)17-9-10-19(21(24-17)30-3)28-11-14(2)23-13-28/h9-13H,4-8H2,1-3H3,(H,25,26)
InChIKey
JPFIVLHIBZXRKR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of gamma-Secretase modulator 5
CAS: 1353570-53-2
CID: 56592447
Formula: C22H25N7OS
MW: 435.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.5
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass435.18412962
Monoisotopic Mass435.18412962
Topological Polar Surface Area111 Ų
Heavy Atom Count31
Formal Charge0
Complexity600
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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