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Anti-amyloid agent-1

CAT: 0931-T78531Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T78531Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1396778-73-6
Target
Others, Beta Amyloid
Related Pathways
Neuroscience, Others
Bioactivity
Anti-amyloid agent-1 is a potent compound that inhibits amyloid aggregation, offering a promising approach for research into the treatment of amyloidosis [1].
Smiles
O=N(=O)C1=CC=C(C=C1NCC=2C=CC=CC2)C=3C=CC=C(C3)C(O)C(F)(F)F
Molecular Formula
C21H17F3N2O3
Molecular Weight
402.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Anti-amyloid agent-1
CAS Number1396778-73-6
PubChem CID60194500
IUPAC Name1-[3-[3-(benzylamino)-4-nitrophenyl]phenyl]-2,2,2-trifluoroethanol
Molecular FormulaC21H17F3N2O3
Molecular Weight402.4
XLogP5.7
Topological Polar Surface Area78.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity534
SMILES
C1=CC=C(C=C1)CNC2=C(C=CC(=C2)C3=CC(=CC=C3)C(C(F)(F)F)O)[N+](=O)[O-]
InChI
InChI=1S/C21H17F3N2O3/c22-21(23,24)20(27)17-8-4-7-15(11-17)16-9-10-19(26(28)29)18(12-16)25-13-14-5-2-1-3-6-14/h1-12,20,25,27H,13H2
InChIKey
ASHWETLKGUZRJW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anti-amyloid agent-1
CAS: 1396778-73-6
CID: 60194500
Formula: C21H17F3N2O3
MW: 402.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.4
XLogP35.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass402.11912689
Monoisotopic Mass402.11912689
Topological Polar Surface Area78.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity534
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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