MedKoo Cat#: 128092 | Name: Jun13728

Description:

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

Jun13728 is a Covalent SARS-CoV‑2 Papain-like Protease Inhibitor. Jun13728 inhibits two predominant SARS-CoV-2 omicron variants, XBB.1.16 and JN.1, with EC50 values of 443.7 nM and 312.5 nM, respectively, comparably to its potency in inhibiting the SARSCoV- 2 wild-type (WT) WA1 strain (EC50 = 354.4 nM).

Chemical Structure

Jun13728
Jun13728
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 128092

Name: Jun13728

CAS#: N/A

Chemical Formula: C31H34F2N8O3

Exact Mass: 604.2722

Molecular Weight: 604.66

Elemental Analysis: C, 61.58; H, 5.67; F, 6.28; N, 18.53; O, 7.94

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
Jun13728; Jun 13728; Jun-13728
IUPAC/Chemical Name
(R)-2-(3-(2-(3,3-difluoroazetidine-1-carbonyl)hydrazineyl)-3-oxopropyl)-N-(1-(3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl)ethyl)benzamide
InChi Key
IQOCZXWCRAFECK-HXUWFJFHSA-N
InChi Code
InChI=1S/C31H34F2N8O3/c1-4-41-12-11-27(38-41)24-14-22(13-23(15-24)25-16-34-39(3)17-25)20(2)35-29(43)26-8-6-5-7-21(26)9-10-28(42)36-37-30(44)40-18-31(32,33)19-40/h5-8,11-17,20H,4,9-10,18-19H2,1-3H3,(H,35,43)(H,36,42)(H,37,44)/t20-/m1/s1
SMILES Code
O=C(NNC(N1CC(F)(F)C1)=O)CCC2=CC=CC=C2C(N[C@H](C)C3=CC(C4=CN(C)N=C4)=CC(C5=NN(CC)C=C5)=C3)=O
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 604.66 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
Structure-Based Design of Covalent SARS-CoV-2 Papain-like Protease Inhibitors Bin Tan, Xueying Liang, Ahmadullah Ansari, Prakash Jadhav, Haozhou Tan, Kan Li, Francesc Xavier Ruiz, Eddy Arnold, Xufang Deng, and Jun Wang Journal of Medicinal Chemistry Article ASAP DOI: 10.1021/acs.jmedchem.4c01872