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γ-Secretase modulator 14

CAT: 0804-HY-148306Size: 1 EachDry Ice: NoHazardous: No
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Description
γ-Secretase modulator 14 is a γ-secretase modulator. γ-Secretase modulator 14 has the potenial for Alzheimer's disease (AD) research (WO2013010904A1; compound 42) [1].
CAS Number
1420200-85-6
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/γ-secretase-modulator-14.html
Solubility
10 mM in DMSO
Smiles
CC1=C(C=CC=C1F)[C@@H]2C3=NC(C4=CC5=C(OC)C(C#N)=CC=C5N4)=CN3CCO2
Molecular Formula
C23H19FN4O2
Molecular Weight
402.42
References & Citations
[1]Garrett Berlond Minne, et al. Novel substituted indole derivatives as gamma secretase modulators. WO2013010904A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-[(8R)-8-(3-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile
CAS Number1420200-85-6
PubChem CID169494548
IUPAC Name2-[(8R)-8-(3-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile
Molecular FormulaC23H19FN4O2
Molecular Weight402.4
XLogP3.1
Topological Polar Surface Area75.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity671
SMILES
CC1=C(C=CC=C1F)[C@@H]2C3=NC(=CN3CCO2)C4=CC5=C(N4)C=CC(=C5OC)C#N
InChI
InChI=1S/C23H19FN4O2/c1-13-15(4-3-5-17(13)24)22-23-27-20(12-28(23)8-9-30-22)19-10-16-18(26-19)7-6-14(11-25)21(16)29-2/h3-7,10,12,22,26H,8-9H2,1-2H3/t22-/m1/s1
InChIKey
UBJJQXXWGRHIDV-JOCHJYFZSA-N
Chemical Structure
2D Structure
2D structure of 2-[(8R)-8-(3-fluoro-2-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl]-4-methoxy-1H-indole-5-carbonitrile
CAS: 1420200-85-6
CID: 169494548
Formula: C23H19FN4O2
MW: 402.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass402.14920402
Monoisotopic Mass402.14920402
Topological Polar Surface Area75.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity671
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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