MedKoo Biosciences, Inc.
Tel:   +1-919-636-5577    Fax:   +1-919-980-4831    Email:   sales@medkoo.com
Search
Login Register
Search
MedKoo Cat#: 555346 | Name: Rilematovir
Featured

Description:

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

Rilematovir, also known as JNJ-53718678 and JNJ-678, is a fusion inhibitor with selective activity against RSV.

Chemical Structure

Rilematovir
Rilematovir
CAS#1383450-81-4

Theoretical Analysis

MedKoo Cat#: 555346

Name: Rilematovir

CAS#: 1383450-81-4

Chemical Formula: C21H20ClF3N4O3S

Exact Mass: 500.0897

Molecular Weight: 500.92

Elemental Analysis: C, 50.35; H, 4.02; Cl, 7.08; F, 11.38; N, 11.18; O, 9.58; S, 6.40

Price and Availability

Size Price Availability Quantity
5mg USD 350.00 2 Weeks
25mg USD 950.00 2 Weeks
Bulk Inquiry
Buy Now
Add to Cart
Related CAS #
No Data
Synonym
JNJ-53718678; JNJ 53718678 JNJ53718678; JNJ-678; JNJ 678; JNJ678; Rilematovir
IUPAC/Chemical Name
3-((5-chloro-1-(3-(methylsulfonyl)propyl)-1H-indol-2-yl)methyl)-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one
InChi Key
GTQTUABHRCWVLL-UHFFFAOYSA-N
InChi Code
InChI=1S/C21H20ClF3N4O3S/c1-33(31,32)8-2-7-27-16(10-14-9-15(22)3-4-17(14)27)12-28-19-11-26-6-5-18(19)29(20(28)30)13-21(23,24)25/h3-6,9-11H,2,7-8,12-13H2,1H3
SMILES Code
O=C(N1CC(F)(F)F)N(CC(N2CCCS(=O)(C)=O)=CC3=C2C=CC(Cl)=C3)C4=C1C=CN=C4
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
2934.99.03.00
More Info
Respiratory syncytial virus is a major cause of acute lower respiratory tract infection in young children, immunocompromised adults, and the elderly. Intervention with small-molecule antivirals specific for respiratory syncytial virus presents an important therapeutic opportunity, but no such compounds are approved today.
Product Data
Product Data
Instruction
View handling instruction
Biological target:
Rilematovir (JNJ-678) is a novel fusion protein inhibitor.
In vitro activity:
Electron density for JNJ-53718678 was observed in the central cavity along the threefold trimeric axis (Fig. 1a). This binding mode caused the electron density for the inhibitor to be threefold symmetric, as described recently for other chemotypes. JNJ-53718678 asymmetrically occupies two of the three identical lobes of the binding pocket and forms aromatic-stacking interactions with RSV F residues Phe488 and Phe140 (Fig. 1b, c). The presence of JNJ-53718678 resulted in a concentration-dependent increase of the fraction of prefusion F on the surface of the cells (Supplementary Fig. 3a). The stabilizing effect of JNJ-53718678 on the prefusion conformation of RSV F was confirmed by the concentration-dependent increase of the melting temperature (Tm) of the soluble ectodomain of F stabilized in the prefusion conformation as measured by differential scanning fluorimetry (DSF; Supplementary Fig. 3b). Reference: Nat Commun. 2017 Aug 1;8(1):167. https://pubmed.ncbi.nlm.nih.gov/28761099/
In vivo activity:
Oral prophylactic treatment of the animals with a single dose of JNJ-53718678 resulted in a dose-dependent decrease of the infectious viral titer (Fig. 4a) as well as viral RNA production in the lungs (Fig. 4b). Together, these results demonstrate the efficacy of JNJ-53718678 to inhibit the propagation of RSV in the lung and suggest a benefit for multiple dosing upon therapeutic treatment. Reference: Nat Commun. 2017 Aug 1;8(1):167. https://pubmed.ncbi.nlm.nih.gov/28761099/
Solvent mg/mL mM
Solubility
DMSO 65.0 129.76
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 500.92 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
Formulation protocol:
1. Roymans D, Alnajjar SS, Battles MB, Sitthicharoenchai P, Furmanova-Hollenstein P, Rigaux P, Berg JVD, Kwanten L, Ginderen MV, Verheyen N, Vranckx L, Jaensch S, Arnoult E, Voorzaat R, Gallup JM, Larios-Mora A, Crabbe M, Huntjens D, Raboisson P, Langedijk JP, Ackermann MR, McLellan JS, Vendeville S, Koul A. Therapeutic efficacy of a respiratory syncytial virus fusion inhibitor. Nat Commun. 2017 Aug 1;8(1):167. doi: 10.1038/s41467-017-00170-x. PMID: 28761099; PMCID: PMC5537225.
In vitro protocol:
1. Roymans D, Alnajjar SS, Battles MB, Sitthicharoenchai P, Furmanova-Hollenstein P, Rigaux P, Berg JVD, Kwanten L, Ginderen MV, Verheyen N, Vranckx L, Jaensch S, Arnoult E, Voorzaat R, Gallup JM, Larios-Mora A, Crabbe M, Huntjens D, Raboisson P, Langedijk JP, Ackermann MR, McLellan JS, Vendeville S, Koul A. Therapeutic efficacy of a respiratory syncytial virus fusion inhibitor. Nat Commun. 2017 Aug 1;8(1):167. doi: 10.1038/s41467-017-00170-x. PMID: 28761099; PMCID: PMC5537225.
In vivo protocol:
1. Roymans D, Alnajjar SS, Battles MB, Sitthicharoenchai P, Furmanova-Hollenstein P, Rigaux P, Berg JVD, Kwanten L, Ginderen MV, Verheyen N, Vranckx L, Jaensch S, Arnoult E, Voorzaat R, Gallup JM, Larios-Mora A, Crabbe M, Huntjens D, Raboisson P, Langedijk JP, Ackermann MR, McLellan JS, Vendeville S, Koul A. Therapeutic efficacy of a respiratory syncytial virus fusion inhibitor. Nat Commun. 2017 Aug 1;8(1):167. doi: 10.1038/s41467-017-00170-x. PMID: 28761099; PMCID: PMC5537225.
1: Stevens M, Rusch S, DeVincenzo J, Kim YI, Harrison L, Meals EA, Boyers A, Fok-Seang J, Huntjens D, Lounis N, Mari N K, Remmerie B, Roymans D, Koul A, Verloes R. Antiviral Activity of Oral JNJ-53718678 in Healthy Adult Volunteers Challenged With Respiratory Syncytial Virus: A Placebo-Controlled Study. J Infect Dis. 2018 Jul 24;218(5):748-756. doi: 10.1093/infdis/jiy227. PubMed PMID: 29684148. 2: Roymans D, Alnajjar SS, Battles MB, Sitthicharoenchai P, Furmanova-Hollenstein P, Rigaux P, Berg JVD, Kwanten L, Ginderen MV, Verheyen N, Vranckx L, Jaensch S, Arnoult E, Voorzaat R, Gallup JM, Larios-Mora A, Crabbe M, Huntjens D, Raboisson P, Langedijk JP, Ackermann MR, McLellan JS, Vendeville S, Koul A. Therapeutic efficacy of a respiratory syncytial virus fusion inhibitor. Nat Commun. 2017 Aug 1;8(1):167. doi: 10.1038/s41467-017-00170-x. PubMed PMID: 28761099; PubMed Central PMCID: PMC5537225. 3: Korell J, Green B, DeVincenzo J, Huntjens D. A human challenge model for respiratory syncytial virus kinetics, the pharmacological effect of a novel fusion inhibitor, and the modelling of symptoms scores. Eur J Pharm Sci. 2017 Nov 15;109S:S154-S160. doi: 10.1016/j.ejps.2017.05.070. Epub 2017 Jun 9. PubMed PMID: 28606804. 4: Huntjens DRH, Ouwerkerk-Mahadevan S, Brochot A, Rusch S, Stevens M, Verloes R. Population Pharmacokinetic Modeling of JNJ-53718678, a Novel Fusion Inhibitor for the Treatment of Respiratory Syncytial Virus: Results from a Phase I, Double-Blind, Randomized, Placebo-Controlled First-in-Human Study in Healthy Adult Subjects. Clin Pharmacokinet. 2017 Nov;56(11):1331-1342. doi: 10.1007/s40262-017-0522-8. PubMed PMID: 28238203.