AZD 2066 - ≥98%(HPLC) , Metabotropic glutamate receptor 5 modulator, CAS No.934282-55-0, Metabotropic glutamate receptor 5 modulator

CAS: 934282-55-0 Cat. No.: A287008 分子式: C₁₉H₁₆ClN₅O₂ 分子量: 381.82 EC番号: 642-444-3

GRADE & PURITY ≥98%(HPLC)

Synonyms

AKOS027470229 | AZD2066 | AZD-2066 | HY-110255 | SCHEMBL1848325 | 5-(3-chlorophenyl)-3-[(1R)-1-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2-oxazole | AZD 2066 | SXWHYTICXCLKDG-GFCCVEGCSA-N | Pyridine, 4-(5-((1R)-1-(5-(3-chlorophenyl)-3-isox

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

AKOS027470229 | AZD2066 | AZD-2066 | HY-110255 | SCHEMBL1848325 | 5-(3-chlorophenyl)-3-[(1R)-1-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2-oxazole | AZD 2066 | SXWHYTICXCLKDG-GFCCVEGCSA-N | Pyridine, 4-(5-((1R)-1-(5-(3-chlorophenyl)-3-isox

仕様と純度

≥98%(HPLC)

生化学的・生理学的メカニズム

mGlu5antagonist. Displays discriminative effects in rats. Orally bioavailable and brain penetrant.

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。

アクションタイプ

MODULATOR

作用メカニズム

Metabotropic glutamate receptor 5 modulator

純度

≥98%(HPLC)

製品の性質

• ALogP: 3

名前と識別子

• カノニカル・スマイル: CC(C1=NOC(=C1)C2=CC(=CC=C2)Cl)OC3=NN=C(N3C)C4=CC=NC=C4
• IUPAC Name: 5-(3-chlorophenyl)-3-[(1R)-1-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2-oxazole
• InChIKey: SXWHYTICXCLKDG-GFCCVEGCSA-N
• INCHI: 1S/C19H16ClN5O2/c1-12(16-11-17(27-24-16)14-4-3-5-15(20)10-14)26-19-23-22-18(25(19)2)13-6-8-21-9-7-13/h3-12H,1-2H3/t12-/m1/s1
• 異性体SMILES: C[C@H](C1=NOC(=C1)C2=CC(=CC=C2)Cl)OC3=NN=C(N3C)C4=CC=NC=C4
• 分子量: 381.82
• Reaxy-Rn: 14476560
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14476560&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyridines and derivatives
• Subclass: Pyridyltriazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridyl-1,2,4-triazoles
• Alternative Parents: Chlorobenzenes Alkyl aryl ethers Aryl chlorides Triazoles Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridyl-1,2,4-triazole - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - 1,2,4-triazole - Triazole - Isoxazole - Oxacycle - Azacycle - Ether - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyridyl-1,2,4-triazoles. These are organic compounds containing a pyridine ring attached to a 1,2,4-triazole 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 38.18, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 38.18, Max Conc. mM: 100
• 分子量: 381.800 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 381.099 Da
• Monoisotopic Mass: 381.099 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 481.000
• 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