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Aβ42-IN-1

CAT: 0804-HY-130609Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-130609Size:1 Each
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Description
Aβ42-IN-1, compound 1v, is a novel, potent and orally active γ-secretase modulator (GSM) . Aβ42-IN-1 potently reduced Aβ42 levels with an IC50 value of 0.091 μM without CYP3A4 inhibition. Aβ42-IN-1 shows a sustained pharmacokinetic profile.
CAS Number
2582757-69-3
UNSPSC
12352005
Target
γ-secretase
Type
Reference compound
Related Pathways
Neuronal Signaling; Stem Cell/Wnt
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/a-beta-42-in-1.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=NC=C(C2=C(C)N=C3C(OCC4=CC=C(C5=CC=CC=C5)C=C4)=CC=CN32)C=C1)NCC.[H]Cl
Molecular Formula
C29H27ClN4O2
Molecular Weight
499.00
References & Citations
[1]Sekioka R, et al. Discovery of N-ethylpyridine-2-carboxamide derivatives as a novel scaffold for orally active γ-secretase modulators.Bioorg Med Chem. 2019 Nov 6:115132.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-ethyl-5-[2-methyl-8-[(4-phenylphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]pyridine-2-carboxamide;hydrochloride
CAS Number2582757-69-3
PubChem CID145712395
IUPAC NameN-ethyl-5-[2-methyl-8-[(4-phenylphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]pyridine-2-carboxamide;hydrochloride
Molecular FormulaC29H27ClN4O2
Molecular Weight499.0
Topological Polar Surface Area68.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity676
SMILES
CCNC(=O)C1=NC=C(C=C1)C2=C(N=C3N2C=CC=C3OCC4=CC=C(C=C4)C5=CC=CC=C5)C.Cl
InChI
InChI=1S/C29H26N4O2.ClH/c1-3-30-29(34)25-16-15-24(18-31-25)27-20(2)32-28-26(10-7-17-33(27)28)35-19-21-11-13-23(14-12-21)22-8-5-4-6-9-22;/h4-18H,3,19H2,1-2H3,(H,30,34);1H
InChIKey
PXGSUAWOGFXNSZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-ethyl-5-[2-methyl-8-[(4-phenylphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]pyridine-2-carboxamide;hydrochloride
CAS: 2582757-69-3
CID: 145712395
Formula: C29H27ClN4O2
MW: 499.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight499.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass498.1822538
Monoisotopic Mass498.1822538
Topological Polar Surface Area68.5 Ų
Heavy Atom Count36
Formal Charge0
Complexity676
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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