THK5351 - Moligand™,≥98% , Diagnostic, CAS No.1707147-26-9, Diagnostic

CAS: 1707147-26-9 Cat. No.: T646216 分子式: C₁₈H₁₈FN₃O₂ 分子量: 327.35 PubChem CID: 91936858

GRADE & PURITY Moligand™, ≥98%

Synonyms

J3.349.111E | Q27281465 | UNII-JE3F6WUN31 | 2-(6-Methylaminopyridine-3-yl)-6-((S)-3-fluoro-2-hydroxy-propyloxy)quinoline | MS-24888 | 2-Propanol, 1-fluoro-3-((2-(6-(methylamino)-3-pyridinyl)-6-quinolinyl)oxy)-, (2S)- | HY-101183 | SCHEMBL16829186 | (2S)-1

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

概要

Aggregated tau protein is a major neuropathological substrate central to the pathophysiology of neurodegenerative diseases such as Alzheimer's disease (AD). 18 F-THK5351 binds to Alzheimer disease hippocampal homogenates with high affinity (K d =2.9 nM; maximum number of binding sites=368.3 pmol/g tissue). It has fast dissociation from white-matter tissue. The THK5351 binding amount correlates with the amount of tau deposits in tissue.

In Vivo

THK5351 exhibits favorable pharmacokinetics and no defluorination in mice. 18 F-THK5351 enters the brain immediately after intravenous injection and shows a fast washout from the brain. At 0.1 and 1 mg/kg, no animals died and no treatment-related changes in any animal are noted in clinical observations, body weight measurement, and pathologic examination . Autoradiography in the brain sections of patients with PSP demonstrates [ 3 H]THK-5351 binding to tau deposits with a high selectivity. Although patients with PSP exhibits no remarkable [ 18 F]THK-5351 retention in the temporal cortex, significantly higher tracer retention is observed in the globus pallidus and midbrain.

Form:Solid

Specifications

同義語

J3.349.111E | Q27281465 | UNII-JE3F6WUN31 | 2-(6-Methylaminopyridine-3-yl)-6-((S)-3-fluoro-2-hydroxy-propyloxy)quinoline | MS-24888 | 2-Propanol, 1-fluoro-3-((2-(6-(methylamino)-3-pyridinyl)-6-quinolinyl)oxy)-, (2S)- | HY-101183 | SCHEMBL16829186 | (2S)-1

仕様と純度

Moligand™,≥98%

生化学的・生理学的メカニズム

THK5351 can be radiolabeled and used as a radiotracer for in vivo imaging of tau pathology in the brain.

保管条件

Protected from light,Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

作用メカニズム

Diagnostic

純度

≥98%

製品の性質

• ALogP: 2.8

名前と識別子

• カノニカル・スマイル: CNC1=NC=C(C=C1)C2=NC3=C(C=C2)C=C(C=C3)OCC(CF)O
• IUPAC Name: (2S)-1-fluoro-3-[2-[6-(methylamino)pyridin-3-yl]quinolin-6-yl]oxypropan-2-ol
• InChIKey: DLVXFZWSPCOWSN-CQSZACIVSA-N
• INCHI: 1S/C18H18FN3O2/c1-20-18-7-3-13(10-21-18)17-5-2-12-8-15(4-6-16(12)22-17)24-11-14(23)9-19/h2-8,10,14,23H,9,11H2,1H3,(H,20,21)/t14-/m1/s1
• 異性体SMILES: CNC1=NC=C(C=C1)C2=NC3=C(C=C2)C=C(C=C3)OC[C@@H](CF)O
• 代替CAS番号: 1707147-26-9
• PubChem CID: 91936858
• MeSH用語: 18F-THK5351;THK5351
• 分子量: 327.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyridines and derivatives
      • Subclass Bipyridines and oligopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyridines and derivatives
• Subclass: Bipyridines and oligopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyridines and oligopyridines
• Alternative Parents: Quinolines and derivatives Phenol ethers Aminopyridines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Secondary alcohols Fluorohydrins Azacyclic compounds Organofluorides Hydrocarbon derivatives Amines Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Bipyridine - Quinoline - Phenol ether - Alkyl aryl ether - Aminopyridine - Imidolactam - Benzenoid - Heteroaromatic compound - Secondary alcohol - Fluorohydrin - Halohydrin - Azacycle - Ether - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO : 50 mg/mL (152.74 mM; Need ultrasonic)
• 分子量: 327.400 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 327.138 Da
• Monoisotopic Mass: 327.138 Da
• Topological Polar Surface Area: 67.300 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 387.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1707147-26-9, the molecular formula is C18H18FN3O2, and the molecular weight is 327.35 g/mol. InChIKey DLVXFZWSPCOWSN-CQSZACIVSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.