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Gamma-secretase modulator 6

CAT: 0804-HY-171347-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-171347-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Gamma-secretase modulator 6 (Example 50) is a gamma-secretase modulator. gamma-secretase modulator 6 inhibits Aβ42 secretion in HEK cell line stably expressing APP (Aβ amyloid precursor protein) (pIC50: 8.1) . gamma-secretase modulator 6 can be used for research of Alzheimer's disease[1].
CAS Number
1255700-88-9
UNSPSC
12352005
Target
Amyloid-β; γ-secretase
Related Pathways
Neuronal Signaling; Stem Cell/Wnt
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Purity
99.68
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
COC1=C(C2=CN(N=C2)C)C=CC(NC3=CC=C(CN(C[C@@H](C4=CC=CC=C4)O5)C)C5=N3)=N1
Molecular Formula
C25H26N6O2
Molecular Weight
442.51
References & Citations
[1]Yvonne Lo-Alfredsson, et al. New compounds modulating gamma-secretase and their use in the treatment of alpha beta related pathologies, such as alzheimer's disease. Patent. WO2010132015
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

gamma-Secretase modulator 6
CAS Number1255700-88-9
PubChem CID49819500
IUPAC Name(2R)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-methyl-2-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-8-amine
Molecular FormulaC25H26N6O2
Molecular Weight442.5
XLogP3.7
Topological Polar Surface Area77.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity620
SMILES
CN1C[C@H](OC2=C(C1)C=CC(=N2)NC3=NC(=C(C=C3)C4=CN(N=C4)C)OC)C5=CC=CC=C5
InChI
InChI=1S/C25H26N6O2/c1-30-14-18-9-11-22(28-24(18)33-21(16-30)17-7-5-4-6-8-17)27-23-12-10-20(25(29-23)32-3)19-13-26-31(2)15-19/h4-13,15,21H,14,16H2,1-3H3,(H,27,28,29)/t21-/m0/s1
InChIKey
IKUXSEKKQNIOCQ-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of gamma-Secretase modulator 6
CAS: 1255700-88-9
CID: 49819500
Formula: C25H26N6O2
MW: 442.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.5
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass442.21172409
Monoisotopic Mass442.21172409
Topological Polar Surface Area77.3 Ų
Heavy Atom Count33
Formal Charge0
Complexity620
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

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