Raseglurant - Moligand™, ≥98% , Metabotropic glutamate receptor 5 modulator, CAS No.757950-09-7, Metabotropic glutamate receptor 5 modulator

CAS: 757950-09-7 Cat. No.: R669088 分子式: C₁₅H₁₃FN₂ 分子量: 240.27

GRADE & PURITY Moligand™, ≥98%

Synonyms

Raseglurant | Raseglurant [INN] | ADX-10059 | UNII-66UCJ8Z8L1 | 66UCJ8Z8L1 | 2-(2-(3-Fluorophenyl)ethynyl)-4,6-dimethylpyridin-3-amine | ADX10059 | 2-[2-(3-Fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Raseglurant (ADX-10059) is a mGlu5 receptor negative allosteric modulator. Raseglurant is effective against migraine. Raseglurant reduces the Haloperidol (HY-14538)-induced catalepsy in mice .

Specifications

同義語

Raseglurant | Raseglurant [INN] | ADX-10059 | UNII-66UCJ8Z8L1 | 66UCJ8Z8L1 | 2-(2-(3-Fluorophenyl)ethynyl)-4,6-dimethylpyridin-3-amine | ADX10059 | 2-[2-(3-Fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine

仕様と純度

Moligand™, ≥98%

保管条件

Store at -20°C

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™

アクションタイプ

MODULATOR

作用メカニズム

Metabotropic glutamate receptor 5 modulator

純度

≥98%

製品の性質

ALogP

3.1

名前と識別子

パブケム・シド

528766932

カノニカル・スマイル

CC1=CC(=NC(=C1N)C#CC2=CC(=CC=C2)F)C

IUPAC Name

2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine

InChIKey

MEDCLNYIYBERKO-UHFFFAOYSA-N

INCHI

1S/C15H13FN2/c1-10-8-11(2)18-14(15(10)17)7-6-12-4-3-5-13(16)9-12/h3-5,8-9H,17H2,1-2H3

異性体SMILES

CC1=CC(=NC(=C1N)C#CC2=CC(=CC=C2)F)C

代替CAS番号

757949-98-7

分子量

240.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyridines and derivatives
      • Subclass Aminopyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyridines and derivatives
• Subclass: Aminopyridines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyridines and derivatives
• Alternative Parents: Methylpyridines Fluorobenzenes Aryl fluorides Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyridine - Methylpyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organofluoride - Organonitrogen compound - Primary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.
• 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 (1 Activities)

Discover Target: GRM5

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

関連ターゲット（非人間）

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

作用メカニズム

化学的性質と物理的性質

• 分子量: 240.270 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 240.106 Da
• Monoisotopic Mass: 240.106 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 343.000
• 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