Ro 01-6128 - Moligand™, ≥98%(HPLC) , Allosteric modulator of mGlu 1 receptor, CAS No.302841-86-7, Allosteric modulator of mGlu 1 receptor

CAS: 302841-86-7 Cat. No.: R287952 Peso molecular: 283.32 PubChem CID: 9903898

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

(Diphenylacetyl)-carbamic acid ethy ester | GTPL1386 | UNII-N4LS35GV3Q | Q7339198 | Ro-016128 | Ro01-6128 | Ethyl (2,2-diphenylacetyl)carbamate | Carbamic acid, (diphenylacetyl)-, ethyl ester | Ethyl N-(2,2-diphenylacetyl)carbamate | (Diphenylacetyl)-carb

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(Diphenylacetyl)-carbamic acid ethy ester | GTPL1386 | UNII-N4LS35GV3Q | Q7339198 | Ro-016128 | Ro01-6128 | Ethyl (2, 2-diphenylacetyl)carbamate | Carbamic acid, (diphenylacetyl)-, ethyl ester | Ethyl N-(2, 2-diphenylacetyl)carbamate | (Diphenylacetyl)-carb

Especificaciones y pureza

Moligand™, ≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Positive allosteric modulator of mGlu1receptors. Potentiates glutamate-induced calcium release (EC50= 104.2 nM at rat mGluR1a).

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

ALLOSTERIC MODULATOR

Mecanismo de acción

Allosteric modulator of mGlu 1 receptor

Pureza

≥98%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)NC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
• IUPAC Name: ethyl N-(2,2-diphenylacetyl)carbamate
• InChIKey: ILSZPWZFQHSKLW-UHFFFAOYSA-N
• INCHI: 1S/C17H17NO3/c1-2-21-17(20)18-16(19)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,18,19,20)
• Isómeros SMILES: CCOC(=O)NC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
• CAS alternativo: 302841-86-7
• PubChem CID: 9903898
• Peso molecular: 283.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenylacetamides Dicarboximides Carbamate esters Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Phenylacetamide - Carbamic acid ester - Dicarboximide - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Objetivos asociados (humanos)

GRM1 Tchem Metabotropic glutamate receptor 1 (0 Activities)

Discover Target: GRM1

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

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 28.33, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 28.33, Max Conc. mM: 100
• Peso molecular: 283.320 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 283.121 Da
• Monoisotopic Mass: 283.121 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 326.000
• 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