Ro67-4853 - Moligand™ , Allosteric modulator of mGlu 1 receptor, CAS No.R613259, Allosteric modulator of mGlu 1 receptor

CAS: R613259 Cat. No.: R613259 PubChem CID: 9949202

GRADE & PURITY Moligand™

Synonyms

Carbamic acid, (9H-xanthen-9-ylcarbonyl)-, butyl ester | RQBUXEUMZZQUFY-UHFFFAOYSA-N | butyl 9H-xanthene-9-carbonylcarbamate | NCGC00370922-01 | QM27L9Q3RZ | SCHEMBL3727778 | AKOS024458108 | Butyl N-(9H-xanthen-9-ylcarbonyl)carbamate | FT-0674449 | (9H-xa

Storage

Room temperature

Specifications

同義語

Carbamic acid, (9H-xanthen-9-ylcarbonyl)-, butyl ester | RQBUXEUMZZQUFY-UHFFFAOYSA-N | butyl 9H-xanthene-9-carbonylcarbamate | NCGC00370922-01 | QM27L9Q3RZ | SCHEMBL3727778 | AKOS024458108 | Butyl N-(9H-xanthen-9-ylcarbonyl)carbamate | FT-0674449 | (9H-xa

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

ALLOSTERIC MODULATOR

作用メカニズム

Allosteric modulator of mGlu 1 receptor

名前と識別子

• カノニカル・スマイル: CCCCOC(=O)NC(=O)C1c2ccccc2Oc2c1cccc2
• IUPAC Name: butyl N-(9H-xanthene-9-carbonyl)carbamate
• InChIKey: RQBUXEUMZZQUFY-UHFFFAOYSA-N
• INCHI: 1S/C19H19NO4/c1-2-3-12-23-19(22)20-18(21)17-13-8-4-6-10-15(13)24-16-11-7-5-9-14(16)17/h4-11,17H,2-3,12H2,1H3,(H,20,21,22)
• 異性体SMILES: CCCCOC(=O)NC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13
• PubChem CID: 9949202

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: Diarylethers Benzenoids Dicarboximides Carbamate esters Oxacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Diaryl ether - Benzenoid - Dicarboximide - Carbamic acid ester - Ether - Carboxylic acid derivative - Oxacycle - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran 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）

GRM1 Tchem Metabotropic glutamate receptor 1 (1 Activities)

Discover Target: GRM1

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

化学的性質と物理的性質

• 分子量: 325.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 325.131 Da
• Monoisotopic Mass: 325.131 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 431.000
• 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

よくある質問

How should this product be stored?

Store at room temperature.

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.

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

The CAS Number is R613259. InChIKey RQBUXEUMZZQUFY-UHFFFAOYSA-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.