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THK-5470

CAT: 0013-GTR19187681-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187681-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
THK-5470 is a highly selective and potent MAO-B imaging probe, with an IC50 of 4.2 nM for MAO-B versus 4462 nM for tau. It is a valuable tool for in vivo PET imaging and in vitro studies in neurological disease research, particularly for investigating conditions like Alzheimer's disease.
CAS Number
2410554-04-8
Smiles
Cc1ccc (cn1) -c1ccc2cc (OC[C@H] (O) CF) ccc2n1
Molecular Formula
C18H17FN2O2
Molecular Weight
312.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Zfu2afj3H2
CAS Number2410554-04-8
PubChem CID156481434
IUPAC Name(2S)-1-fluoro-3-[2-(6-methyl-3-pyridinyl)quinolin-6-yl]oxypropan-2-ol
Molecular FormulaC18H17FN2O2
Molecular Weight312.3
XLogP2.9
Topological Polar Surface Area55.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity371
SMILES
CC1=NC=C(C=C1)C2=NC3=C(C=C2)C=C(C=C3)OC[C@@H](CF)O
InChI
InChI=1S/C18H17FN2O2/c1-12-2-3-14(10-20-12)18-6-4-13-8-16(5-7-17(13)21-18)23-11-15(22)9-19/h2-8,10,15,22H,9,11H2,1H3/t15-/m1/s1
InChIKey
FBXCMFBJUZVBJS-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of Zfu2afj3H2
CAS: 2410554-04-8
CID: 156481434
Formula: C18H17FN2O2
MW: 312.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.3
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass312.12740595
Monoisotopic Mass312.12740595
Topological Polar Surface Area55.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity371
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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