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 Formula: C₁₇H₁₇NO₃ Peso molecolare: 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

Sinonimi

(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

Specifiche e purezza

Moligand™, ≥98%(HPLC)

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

ALLOSTERIC MODULATOR

Meccanismo d'azione

Allosteric modulator of mGlu 1 receptor

Purezza

≥98%(HPLC)

Nomi e identificatori

• Pubchem Sid: 528766898
• Sorrisi canonici: 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)
• Isomeri SMILES: CCOC(=O)NC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
• CAS alternativo: 302841-86-7
• PubChem CID: 9903898
• Peso molecolare: 283.32

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

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)

Proprietà chimiche e fisiche

• Solubilità: 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 molecolare: 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