WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H532563
CAS#: 911114-85-7
Description: RO4988546 is a potent mGlu₂/₃ negative allosteric modulator.
Hodoodo Cat#: H532563
Name: RO4988546
CAS#: 911114-85-7
Chemical Formula: C21H10F6N4O3S
Exact Mass: 512.04
Molecular Weight: 512.390
Elemental Analysis: C, 49.23; H, 1.97; F, 22.25; N, 10.93; O, 9.37; S, 6.26
This product is not in stock, which may be available by custom synthesis.
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Synonym: RO4988546; RO 4988546; RO-4988546.
IUPAC/Chemical Name: 5-{2-[7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl}pyridine-3-sulfonic acid
InChi Key: VAQSOLIIQORHSP-UHFFFAOYSA-N
InChi Code: InChI=1S/C21H10F6N4O3S/c22-20(23,24)15-5-3-13(4-6-15)17-8-18(21(25,26)27)31-19(30-17)14(10-29-31)2-1-12-7-16(11-28-9-12)35(32,33)34/h3-11H,(H,32,33,34)
SMILES Code: O=S(C1=CC(C#CC2=C3N=C(C4=CC=C(C(F)(F)F)C=C4)C=C(C(F)(F)F)N3N=C2)=CN=C1)(O)=O
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
More Info:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 512.39 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 |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
1: 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.