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About This Item
Empirical Formula (Hill Notation):
C11H11ClN4O2
CAS Number:
Molecular Weight:
266.68
UNSPSC Code:
12352202
MDL number:
Assay:
≥98% (HPLC)
Form:
solid
Storage condition:
OK to freeze, protect from light
assay
≥98% (HPLC)
Quality Segment
form
solid
potency
87 nM IC50
manufacturer/tradename
Calbiochem®
storage condition
OK to freeze, protect from light
color
white
solubility
DMSO: 50 mg/mL
storage temp.
2-8°C
InChI
1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)
InChI key
DWPQODZAOSWNHB-UHFFFAOYSA-N
General description
A potent negative allosteric modulator highly selective for mGluR5 (IC50 = 87 nM; Kd = 54 nM and 31 nM at recombinant mGlu5 receptors of rat and human, respectively). Biologically active admitted orally or systematically. Frequently used for assessing the functional roles of mGlu5 receptors in a variety of brain functions (i.e. learning and memory, circadian rhythms, reward and decision making, and locomotion) and disorders (i.e. addition, depression, seizures, anxiety disorder, Parkinson′s disease, Alzheimer′s disease, and Down syndrome). A leading therapeutic candidate for treatment of fragile X syndrome.
Biochem/physiol Actions
Primary Target
mGlu₅ receptors
mGlu₅ receptors
Target Ki: 54 nM and 31 nM at recombinant mGlu₅ receptors of rat and human, respectively
Preparation Note
Following reconstitution, aliquot and freeze (-20°C). Stock solutions are stable for up to 3 months at -20°C.
Other Notes
Porter, R., et al. 2005. J. Pharmacol. Exp. Ther.315, 711.
Jacob, W., et al. 2009. Neuropharmacology57, 97.
Berry-Kravis, E., et al. 2009. J. Medical Genetics.46, 266.
Watterson, R., et al. 2012. Psychopharmacol.2012, 1.
Simonyi, A., et al. 2010. Eur. J. Pharmacol.639, 17.
Westmark, J., et al. 2010. J. Alzheimer′s Disease20, 1009.
Jacob, W., et al. 2009. Neuropharmacology57, 97.
Berry-Kravis, E., et al. 2009. J. Medical Genetics.46, 266.
Watterson, R., et al. 2012. Psychopharmacol.2012, 1.
Simonyi, A., et al. 2010. Eur. J. Pharmacol.639, 17.
Westmark, J., et al. 2010. J. Alzheimer′s Disease20, 1009.
Legal Information
CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany
Disclaimer
Toxicity: Standard Handling (A)
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Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Certificates of Analysis (COA)
Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.
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