WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 525254
Description: VU0409106 is a potent and selective inhibitor of mGlu5.
MedKoo Cat#: 525254
Chemical Formula: C15H11FN4O2S
Exact Mass: 330.0587
Molecular Weight: 330.3374
Elemental Analysis: C, 54.54; H, 3.36; F, 5.75; N, 16.96; O, 9.69; S, 9.71
Synonym: VU0409106, VU 0409106, VU-0409106
IUPAC/Chemical Name: 3-Fluoro-N-(4-methyl-thiazol-2-yl)-5-(pyrimidin-5-yloxy)-benzamide
InChi Key: AXVLPJHYYFHCHK-UHFFFAOYSA-N
InChi Code: InChI=1S/C15H11FN4O2S/c1-9-7-23-15(19-9)20-14(21)10-2-11(16)4-12(3-10)22-13-5-17-8-18-6-13/h2-8H,1H3,(H,19,20,21)
SMILES Code: O=C(NC1=NC(C)=CS1)C2=CC(OC3=CN=CN=C3)=CC(F)=C2
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 330.3374 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
|Concentration / Solvent Volume / Mass||1 mg||5 mg||10 mg|
|1 mM||1.15 mL||5.76 mL||11.51 mL|
|5 mM||0.23 mL||1.15 mL||2.3 mL|
|10 mM||0.12 mL||0.58 mL||1.15 mL|
|50 mM||0.02 mL||0.12 mL||0.23 mL|
1: Crouch RD, Morrison RD, Byers FW, Lindsley CW, Emmitte KA, Daniels JS. Evaluating the Disposition of a Mixed Aldehyde Oxidase/Cytochrome P450 Substrate in Rats with Attenuated P450 Activity. Drug Metab Dispos. 2016 Aug;44(8):1296-303. doi: 10.1124/dmd.115.068338. Epub 2016 Mar 2. PubMed PMID: 26936972; PubMed Central PMCID: PMC4986618.
2: Rook JM, Tantawy MN, Ansari MS, Felts AS, Stauffer SR, Emmitte KA, Kessler RM, Niswender CM, Daniels JS, Jones CK, Lindsley CW, Conn PJ. Relationship between in vivo receptor occupancy and efficacy of metabotropic glutamate receptor subtype 5 allosteric modulators with different in vitro binding profiles. Neuropsychopharmacology. 2015 Feb;40(3):755-65. doi: 10.1038/npp.2014.245. Epub 2014 Sep 22. PubMed PMID: 25241804; PubMed Central PMCID: PMC4289965.
3: Felts AS, Rodriguez AL, Morrison RD, Venable DF, Manka JT, Bates BS, Blobaum AL, Byers FW, Daniels JS, Niswender CM, Jones CK, Conn PJ, Lindsley CW, Emmitte KA. Discovery of VU0409106: A negative allosteric modulator of mGlu5 with activity in a mouse model of anxiety. Bioorg Med Chem Lett. 2013 Nov 1;23(21):5779-85. doi: 10.1016/j.bmcl.2013.09.001. Epub 2013 Sep 10. PubMed PMID: 24074843; PubMed Central PMCID: PMC3846293.
4: Morrison RD, Blobaum AL, Byers FW, Santomango TS, Bridges TM, Stec D, Brewer KA, Sanchez-Ponce R, Corlew MM, Rush R, Felts AS, Manka J, Bates BS, Venable DF, Rodriguez AL, Jones CK, Niswender CM, Conn PJ, Lindsley CW, Emmitte KA, Daniels JS. The role of aldehyde oxidase and xanthine oxidase in the biotransformation of a novel negative allosteric modulator of metabotropic glutamate receptor subtype 5. Drug Metab Dispos. 2012 Sep;40(9):1834-45. doi: 10.1124/dmd.112.046136. Epub 2012 Jun 18. PubMed PMID: 22711749; PubMed Central PMCID: PMC3422546.