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AMDE-1

CAT: 0931-T23716-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T23716-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
478043-30-0
Target
Autophagy, ATG, AMPK
Related Pathways
Chromatin/Epigenetic, PI3K/Akt/mTOR signaling, Autophagy
Purity
0.9
Bioactivity
AMDE-1 is an autophagy modulator and triggers autophagy in an Atg5-dependent manner. AMDE-1 recruits Atg16 to the pre-autophagosomal site and causes LC3 lipidation.
Smiles
FC(F)(F)C1=NC2=NC(=CC=C2C(=C1)C(F)(F)F)C(C#N)C1=CC(Cl)=CC=C1
Molecular Formula
C18H8ClF6N3
Molecular Weight
415.72
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(3-chlorophenyl)acetonitrile
CAS Number478043-30-0
PubChem CID3803930
IUPAC Name2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(3-chlorophenyl)acetonitrile
Molecular FormulaC18H8ClF6N3
Molecular Weight415.7
XLogP5.3
Topological Polar Surface Area49.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity600
SMILES
C1=CC(=CC(=C1)Cl)C(C#N)C2=NC3=C(C=C2)C(=CC(=N3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C18H8ClF6N3/c19-10-3-1-2-9(6-10)12(8-26)14-5-4-11-13(17(20,21)22)7-15(18(23,24)25)28-16(11)27-14/h1-7,12H
InChIKey
QPWWAOMXYPIDOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(3-chlorophenyl)acetonitrile
CAS: 478043-30-0
CID: 3803930
Formula: C18H8ClF6N3
MW: 415.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.7
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass415.0310939
Monoisotopic Mass415.0310939
Topological Polar Surface Area49.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity600
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-119137-01AMDE-1
297272-011,1,1,1,1-Kestoheptaose
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