WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H121139
CAS#: 2589736-94-5
Description: UAWJ248 is a SARS-CoV-2 Protease inhibitor. UAWJ248 provides new directions for the development of Mpro inhibitors as SARS-CoV-2 antivirals.
Hodoodo Cat#: H121139
Name: UAWJ248
CAS#: 2589736-94-5
Chemical Formula: C31H45N5O7
Exact Mass: 599.33
Molecular Weight: 599.730
Elemental Analysis: C, 62.08; H, 7.56; N, 11.68; O, 18.67
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Synonym: UAWJ248; UAWJ-248; UAWJ 248
IUPAC/Chemical Name: benzyl ((S)-1-(((S)-1-(((S)-4-(cyclopropylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
InChi Key: OBCPHEXAYKLYSQ-LFBFJMOVSA-N
InChi Code: InChI=1S/C31H45N5O7/c1-18(2)14-24(35-29(40)25(15-19(3)4)36-31(42)43-17-20-8-6-5-7-9-20)28(39)34-23(16-21-12-13-32-27(21)38)26(37)30(41)33-22-10-11-22/h5-9,18-19,21-25H,10-17H2,1-4H3,(H,32,38)(H,33,41)(H,34,39)(H,35,40)(H,36,42)/t21-,23-,24-,25-/m0/s1
SMILES Code: O=C(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](C[C@@H]1CCNC1=O)C(C(NC2CC2)=O)=O)=O)=O)OCC3=CC=CC=C3
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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 599.73 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.
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: | |
In vitro protocol: | |
In vivo protocol: |
Sacco MD, Ma C, Lagarias P, Gao A, Townsend JA, Meng X, Dube P, Zhang X, Hu Y, Kitamura N, Hurst B, Tarbet B, Marty MT, Kolocouris A, Xiang Y, Chen Y, Wang J. Structure and inhibition of the SARS-CoV-2 main protease reveals strategy for developing dual inhibitors against Mpro and cathepsin L. bioRxiv [Preprint]. 2020 Jul 27:2020.07.27.223727. doi: 10.1101/2020.07.27.223727. Update in: Sci Adv. 2020 Nov 6;: PMID: 32766590; PMCID: PMC7402059.