Synonym
RO5488608; RO 5488608; RO-5488608.
IUPAC/Chemical Name
3-{3-[7-methyl-2-oxo-8-(trifluoromethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]phenyl}benzene-1-sulfonic acid
InChi Key
FQNZBSFUVZKONP-UHFFFAOYSA-N
InChi Code
InChI=1S/C23H17F3N2O4S/c1-13-8-20-21(11-18(13)23(24,25)26)28-22(29)12-19(27-20)16-6-2-4-14(9-16)15-5-3-7-17(10-15)33(30,31)32/h2-11H,12H2,1H3,(H,28,29)(H,30,31,32)
SMILES Code
O=S(C1=CC=CC(C2=CC=CC(C3=NC4=CC(C)=C(C(F)(F)F)C=C4NC(C3)=O)=C2)=C1)(O)=O
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
474.45
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: Lundström L, Bissantz C, Beck J, Dellenbach M, Woltering TJ, Wichmann J, Gatti S. Reprint of Pharmacological and molecular characterization of the positive allosteric modulators of metabotropic glutamate receptor 2. Neuropharmacology. 2017 Mar 15;115:115-127. doi: 10.1016/j.neuropharm.2016.08.040. Epub 2017 Feb 16. Review. PubMed PMID: 28216000.
2: Lundström L, Bissantz C, Beck J, Dellenbach M, Woltering TJ, Wichmann J, Gatti S. Pharmacological and molecular characterization of the positive allosteric modulators of metabotropic glutamate receptor 2. Neuropharmacology. 2016 Dec;111:253-265. doi: 10.1016/j.neuropharm.2016.08.032. Epub 2016 Aug 30. Review. PubMed PMID: 27590915.
3: Lundström L, Bissantz C, Beck J, Wettstein JG, Woltering TJ, Wichmann J, Gatti S. Structural determinants of allosteric antagonism at metabotropic glutamate receptor 2: mechanistic studies with new potent negative allosteric modulators. Br J Pharmacol. 2011 Sep;164(2b):521-37. doi: 10.1111/j.1476-5381.2011.01409.x. PubMed PMID: 21470207; PubMed Central PMCID: PMC3188907.
