JNJ-46356479

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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.


Chemical Structure

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JNJ-46356479
CAS# 1254979-66-2 (free base)

Theoretical Analysis

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

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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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

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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

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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.



Additional Information

Related CAS#
1254979-66-2 (JNJ-46356479 free base)
1801746-22-4 (JNJ-46356479 dihydrochloride)