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MedKoo Cat#: 555584 | Name: JNJ-4796

Description:

WARNING: This product is for research use only, not for human or veterinary use.

JNJ4796 is a potent and orally active small-molecule fusion inhibitor of influenza virus hemagglutinin (HA) with EC50 of 33 nM (H1N1 neutralization).

Chemical Structure

JNJ-4796
JNJ-4796
CAS#2241664-16-2

Theoretical Analysis

MedKoo Cat#: 555584

Name: JNJ-4796

CAS#: 2241664-16-2

Chemical Formula: C28H27N9O3

Exact Mass: 537.2237

Molecular Weight: 537.58

Elemental Analysis: C, 62.56; H, 5.06; N, 23.45; O, 8.93

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
JNJ-4796; JNJ 4796; JNJ4796;
IUPAC/Chemical Name
(R)-N-(2-(2-(4-((2-methyl-2H-tetrazol-5-yl)(phenyl)methyl)piperazine-1-carbonyl)pyridin-4-yl)benzo[d]oxazol-5-yl)acetamide
InChi Key
VMAAUIZLAZYALS-RUZDIDTESA-N
InChi Code
InChI=1S/C28H27N9O3/c1-18(38)30-21-8-9-24-22(17-21)31-27(40-24)20-10-11-29-23(16-20)28(39)37-14-12-36(13-15-37)25(19-6-4-3-5-7-19)26-32-34-35(2)33-26/h3-11,16-17,25H,12-15H2,1-2H3,(H,30,38)/t25-/m1/s1
SMILES Code
CC(NC1=CC=C(OC(C2=CC(C(N3CCN([C@@H](C4=NN(C)N=N4)C5=CC=CC=C5)CC3)=O)=NC=C2)=N6)C6=C1)=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
>3 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

Preparing Stock Solutions

The following data is based on the product molecular weight 537.58 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
1: van Dongen MJP, Kadam RU, Juraszek J, Lawson E, Brandenburg B, Schmitz F, Schepens WBG, Stoops B, van Diepen HA, Jongeneelen M, Tang C, Vermond J, van Eijgen-Obregoso Real A, Blokland S, Garg D, Yu W, Goutier W, Lanckacker E, Klap JM, Peeters DCG, Wu J, Buyck C, Jonckers THM, Roymans D, Roevens P, Vogels R, Koudstaal W, Friesen RHE, Raboisson P, Dhanak D, Goudsmit J, Wilson IA. A small-molecule fusion inhibitor of influenza virus is orally active in mice. Science. 2019 Mar 8;363(6431). pii: eaar6221. doi: 10.1126/science.aar6221. PubMed PMID: 30846569; PubMed Central PMCID: PMC6457909.