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Ro 67-4853 - ≥99%, high purity , CAS No.302841-89-0, Allosteric modulator of mGlu 1 receptor

In stock
Item Number
R276214
Grouped product items
SKU Size
Availability
Price Qty
R276214-10mg
10mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$134.90
R276214-50mg
50mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$567.90

PAM for mGlu 1

Basic Description

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
Specifications & Purity Moligand™, ≥99%
Biochemical and Physiological Mechanisms Potent, selective positive allosteric modulator for mGlu 1 (pEC 50 = 7.16 for rat mGlu 1a receptors). Increases basal mGluR 1 -induced cAMP accumulation and potentiates glutamate-induced cAMP accumulation. Selectively enhanced responses to DHPG in vivo (
Storage Temp Room temperature
Shipped In Normal
Grade Moligand™
Action Type ALLOSTERIC MODULATOR
Mechanism of action Allosteric modulator of mGlu 1 receptor
Note Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description

Store at Room Temperature. The product can be stored for up to 12 months.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class 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
Description 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

Associated Targets(Human)

GRM1 Tchem Metabotropic glutamate receptor 1 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)

Names and Identifiers

IUPAC Name butyl N-(9H-xanthene-9-carbonyl)carbamate
INCHI 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)
InChIKey RQBUXEUMZZQUFY-UHFFFAOYSA-N
Smiles CCCCOC(=O)NC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13
Isomeric SMILES CCCCOC(=O)NC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13
Alternate CAS 302841-89-0
PubChem CID 9949202
MeSH Entry Terms (9H-xanthene-9-carbonyl)carbamic acid butyl ester;Ro 67-4853;Ro67-4853
Molecular Weight 325.36

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Solubility Soluble in DMSO to 100 mM
Molecular Weight 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

Solution Calculators

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