MedKoo Cat#: 126324 | Name: CMX990

Description:

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

CMX990 is a SARS-CoV-2 3CLpro inhibitor (IC50 = 23.4 nM), CMX990, bearing an unprecedented trifluoromethoxymethyl ketone warhead. Compared with the marketed drug nirmatrelvir (combination with ritonavir = Paxlovid), CMX990 has distinctly differentiated potency (∼5× more potent in primary cells) and human in vitro clearance (>4× better microsomal clearance and >10× better hepatocyte clearance), with good in vitro-to-in vivo correlation.

Chemical Structure

CMX990
CMX990
CAS#2882934-64-5

Theoretical Analysis

MedKoo Cat#: 126324

Name: CMX990

CAS#: 2882934-64-5

Chemical Formula: C22H32F3N3O6

Exact Mass: 491.2243

Molecular Weight: 491.51

Elemental Analysis: C, 53.76; H, 6.56; F, 11.60; N, 8.55; O, 19.53

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
CMX990; CMX 990; CMX-990
IUPAC/Chemical Name
(S)-5-((R)-2-hydroxy-4-methylpentanoyl)-N-((S)-3-oxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)butan-2-yl)-5-azaspiro[2.4]heptane-6-carboxamide
InChi Key
LTCAMZPTBRHGIT-YHUYYLMFSA-N
InChi Code
InChI=1S/C22H32F3N3O6/c1-12(2)7-16(29)20(33)28-11-21(4-5-21)9-15(28)19(32)27-14(8-13-3-6-26-18(13)31)17(30)10-34-22(23,24)25/h12-16,29H,3-11H2,1-2H3,(H,26,31)(H,27,32)/t13-,14-,15-,16+/m0/s1
SMILES Code
O=C(N[C@H](C(COC(F)(F)F)=O)C[C@@H]1CCNC1=O)[C@@H]2CC3(CC3)CN2C([C@H](O)CC(C)C)=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 491.51 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
Dayan Elshan NGR, Wolff KC, Riva L, Woods AK, Grabovyi G, Wilson K, Pedroarena J, Ghorai S, Nazarian A, Weiss F, Liu Y, Mazumdar W, Song L, Okwor N, Malvin J, Bakowski MA, Beutler N, Kirkpatrick MG, Gebara-Lamb A, Huang E, Nguyen-Tran VTB, Chi V, Li S, Rogers TF, McNamara CW, Gupta AK, Rahimi A, Chen JJ, Joseph SB, Schultz PG, Chatterjee AK. Discovery of CMX990: A Potent SARS-CoV-2 3CL Protease Inhibitor Bearing a Novel Warhead. J Med Chem. 2024 Feb 9. doi: 10.1021/acs.jmedchem.3c01938. Epub ahead of print. PMID: 38335279.