ジプラグルラント - モリガンド™, ≥98 , Metabotropic glutamate receptor 5 modulator, CAS No.872363-17-2, Metabotropic glutamate receptor 5 modulator

CAS: 872363-17-2 Cat. No.: D127049 分子式: C₁₆H₁₂FN₃ 分子量: 265.29

GRADE & PURITY Moligand™, ≥98%

Synonyms

ADX48621 | 6-Fluoro-2-[4-(pyridin-2-yl)-3-butynyl]imidazo[1,2-a]pyridine

Storage

20℃で保存

Shipped In

アイスチェスト＋アイスパッド

概要

Dipraglurantは、血液脳関門を通過するmGluR5の負のアロステリック制御因子（NAM）であり、有効で選択的な経口活性を有し、IC50値は21 nMである。Dipraglurantはパーキンソン病のレボドパ誘発性ジスキネジア（PD-LID）を治療することができる。

Specifications

同義語

ADX48621 | 6-Fluoro-2-[4-(pyridin-2-yl)-3-butynyl]imidazo[1,2-a]pyridine

仕様と純度

モリガンド™, ≥98

生化学的・生理学的メカニズム

ジプラグルラント（ADX 48621）はmGlu5受容体の陰性アロステリックモジュレーターである。

保管条件

20℃で保存

入荷

アイスチェスト＋アイスパッド

等級

Moligand™

アクションタイプ

ALLOSTERIC MODULATOR, MODULATOR

作用メカニズム

Metabotropic glutamate receptor 5 modulator

純度

≥98%

製品の性質

• ALogP: 3.5

名前と識別子

• パブケム・シド: 528764302
• カノニカル・スマイル: C1=CC=NC(=C1)C#CCCC2=CN3C=C(C=CC3=N2)F
• IUPAC Name: 6-fluoro-2-(4-pyridin-2-ylbut-3-ynyl)imidazo[1,2-a]pyridine
• InChIKey: LZXMUJCJAWVHPZ-UHFFFAOYSA-N
• INCHI: 1S/C16H12FN3/c17-13-8-9-16-19-15(12-20(16)11-13)7-2-1-5-14-6-3-4-10-18-14/h3-4,6,8-12H,2,7H2
• 異性体SMILES: C1=CC=NC(=C1)C#CCCC2=CN3C=C(C=CC3=N2)F
• 分子量: 265.29
• Reaxy-Rn: 12480521
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12480521&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Imidazopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Imidazopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyridines
• Alternative Parents: Imidazo[1,2-a]pyridines Pyridines and derivatives N-substituted imidazoles Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo[1,2-a]pyridine - Imidazopyridine - Aryl fluoride - Aryl halide - N-substituted imidazole - Pyridine - Azole - Imidazole - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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

関連ターゲット（人間）

GRM5 Tchem Metabotropic glutamate receptor 5 (2 Activities)

Discover Target: GRM5

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GRM5 Tchem Metabotropic glutamate receptor 5 (5733 Activities)

Discover Target: GRM5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO
• 分子量: 265.280 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 265.102 Da
• Monoisotopic Mass: 265.102 Da
• Topological Polar Surface Area: 30.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 386.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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