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THK-5105

CAT: 0013-GTR19187476-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187476-01Size:25 mg
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Description
THK-5105 is an arylquinoline compound with high affinity for tau fibrils and aggregates. Its radiolabeled analog, 18F-THK-5105, serves as a PET imaging probe for studying tau pathology in Alzheimer's disease research, applicable in both in vitro binding assays and in vivo neuroimaging experiments.
CAS Number
1374107-46-6
Field of Research
Signal Transduction
Smiles
O (CC (CF) O) C1=CC2=C (N=C (C=C2) C3=CC=C (N (C) C) C=C3) C=C1
Molecular Formula
C20H21FN2O2
Molecular Weight
340.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(2-(4-(Dimethylamino)phenyl)quinolin-6-yloxy)-3-fluoropropan-2-ol
CAS Number1374107-46-6
PubChem CID56971553
IUPAC Name1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-3-fluoropropan-2-ol
Molecular FormulaC20H21FN2O2
Molecular Weight340.4
XLogP3.7
Topological Polar Surface Area45.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity401
SMILES
CN(C)C1=CC=C(C=C1)C2=NC3=C(C=C2)C=C(C=C3)OCC(CF)O
InChI
InChI=1S/C20H21FN2O2/c1-23(2)16-6-3-14(4-7-16)19-9-5-15-11-18(8-10-20(15)22-19)25-13-17(24)12-21/h3-11,17,24H,12-13H2,1-2H3
InChIKey
YECXMTCPEPHEAA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-(4-(Dimethylamino)phenyl)quinolin-6-yloxy)-3-fluoropropan-2-ol
CAS: 1374107-46-6
CID: 56971553
Formula: C20H21FN2O2
MW: 340.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.4
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass340.15870608
Monoisotopic Mass340.15870608
Topological Polar Surface Area45.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity401
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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