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TRV-1387

CAT: 0013-GTR19230729-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230729-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TRV-1387 is a benzofurazan-based small molecule that suppresses the aggregation of both tau and amyloid-β proteins. This dual inhibitor is a valuable research tool for investigating neurodegenerative mechanisms in vitro and has shown efficacy in relevant animal models of Alzheimer's disease.
CAS Number
1569645-63-1
Field of Research
Neuroscience, Signal Transduction
Smiles
C (C (F) (F) F) (O) C=1C=C (C=2C=C (C=3C (C2) =NON3) N4CCC (CC4) N5CCCC5) C=CC1
Molecular Formula
C23H25F3N4O2
Molecular Weight
446.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,2,2-Trifluoro-1-[3-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)-2,1,3-benzoxadiazol-6-yl]phenyl]ethanol
CAS Number1569645-63-1
PubChem CID73389159
IUPAC Name2,2,2-trifluoro-1-[3-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)-2,1,3-benzoxadiazol-6-yl]phenyl]ethanol
Molecular FormulaC23H25F3N4O2
Molecular Weight446.5
XLogP4.3
Topological Polar Surface Area65.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity625
SMILES
C1CCN(C1)C2CCN(CC2)C3=CC(=CC4=NON=C34)C5=CC(=CC=C5)C(C(F)(F)F)O
InChI
InChI=1S/C23H25F3N4O2/c24-23(25,26)22(31)16-5-3-4-15(12-16)17-13-19-21(28-32-27-19)20(14-17)30-10-6-18(7-11-30)29-8-1-2-9-29/h3-5,12-14,18,22,31H,1-2,6-11H2
InChIKey
CTKOEULANBZLQK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2,2-Trifluoro-1-[3-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)-2,1,3-benzoxadiazol-6-yl]phenyl]ethanol
CAS: 1569645-63-1
CID: 73389159
Formula: C23H25F3N4O2
MW: 446.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.5
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass446.19296054
Monoisotopic Mass446.19296054
Topological Polar Surface Area65.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity625
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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