WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 526851
CAS#: 1254979-66-2 (free base)
Description: JNJ-46356479 is a Selective and Orally Bioavailable mGlu2 receptor Positive Allosteric Modulator (PAM). JNJ-46356479 showed mGlu2 PAM EC50=78 nM; mGlu2 PAM Emax (%) = 256. JNJ-46356479 is in vivo active, sw-EEG at 3mg/kg, p.o. JNJ-46356479 represents a more balanced profile that offers a significant improvement on the druglike attributes compared to previously reported leads.
MedKoo Cat#: 526851
Name: JNJ-46356479
CAS#: 1254979-66-2 (free base)
Chemical Formula: C22H22F5N5
Exact Mass: 451.1795
Molecular Weight: 451.445
Elemental Analysis: C, 58.53; H, 4.91; F, 21.04; N, 15.51
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Synonym: JNJ-46356479; JNJ 46356479; JNJ46356479.
IUPAC/Chemical Name: 8-Trifluoromethyl-3-cyclopropylmethyl-7-[(4-(2,4-difluorophenyl)-1-piperazinyl)methyl]-1,2,4-triazolo[4,3-a]pyridine
InChi Key: BNJUYVSEWGRELC-UHFFFAOYSA-N
InChi Code: InChI=1S/C22H22F5N5/c23-16-3-4-18(17(24)12-16)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27/h3-6,12,14H,1-2,7-11,13H2
SMILES Code: FC1=CC=C(N2CCN(CC3=C(C(F)(F)F)C4=NN=C(CC5CC5)N4C=C3)CC2)C(F)=C1
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 451.445 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: Cid JM, Tresadern G, Vega JA, de Lucas AI, Del Cerro A, Matesanz E, Linares ML, García A, Iturrino L, Pérez-Benito L, Macdonald GJ, Oehlrich D, Lavreysen H, Peeters L, Ceusters M, Ahnaou A, Drinkenburg W, Mackie C, Somers M, Trabanco AA. Discovery of 8-Trifluoromethyl-3-cyclopropylmethyl-7-[(4-(2,4-difluorophenyl)-1-piperazinyl)methyl]-1,2,4-triazolo[4,3-a]pyridine (JNJ-46356479), a Selective and Orally Bioavailable mGlu2 receptor Positive Allosteric Modulator (PAM). J Med Chem. 2016 Aug 31. [Epub ahead of print] PubMed PMID: 27579727.
Related CAS#
1254979-66-2 (JNJ-46356479 free base)
1801746-22-4 (JNJ-46356479 dihydrochloride)
