WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H130566
CAS#: Z8539
Description: Z8539 is a novel inhibitor of SARS-CoV-2 Macro1 (IC50 6.4 μM).
Hodoodo Cat#: H130566
Name: Z8539
CAS#: Z8539
Chemical Formula: C21H21N3O5
Exact Mass: 395.15
Molecular Weight: 395.420
Elemental Analysis: C, 63.79; H, 5.35; N, 10.63; O, 20.23
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Synonym: Z 8539, Z-8539, Z4718398539, Z 4718398539, Z-4718398539
IUPAC/Chemical Name: 1-(4-(3-Cyclopropylureido)benzamido)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
InChi Key: HULQKGAWTDMSSA-UHFFFAOYSA-N
InChi Code: InChI=1S/C21H21N3O5/c25-17-3-1-2-14-15(17)10-16(20(27)28)18(14)24-19(26)11-4-6-12(7-5-11)22-21(29)23-13-8-9-13/h1-7,13,16,18,25H,8-10H2,(H,24,26)(H,27,28)(H2,22,23,29)
SMILES Code: O=C(NC1=CC=C(C(NC2C3=C(CC2C(O)=O)C(O)=CC=C3)=O)C=C1)NC4CC4
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 395.42 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: |
1. Anmangandla A, Jana S, Peng K, Wallace SD, Bagde SR, Drown BS, Xu J, Hergenrother PJ, Fromme JC, Lin H. A Fluorescence Polarization Assay for Macrodomains Facilitates the Identification of Potent Inhibitors of the SARS-CoV-2 Macrodomain. ACS Chem Biol. 2023 May 19;18(5):1200-1207. doi: 10.1021/acschembio.3c00092. Epub 2023 May 1. PMID: 37126856; PMCID: PMC10178785.
2. Gahbauer S, Correy GJ, Schuller M, Ferla MP, Doruk YU, Rachman M, Wu T, Diolaiti M, Wang S, Neitz RJ, Fearon D, Radchenko DS, Moroz YS, Irwin JJ, Renslo AR, Taylor JC, Gestwicki JE, von Delft F, Ashworth A, Ahel I, Shoichet BK, Fraser JS. Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc Natl Acad Sci U S A. 2023 Jan 10;120(2):e2212931120. doi: 10.1073/pnas.2212931120. Epub 2023 Jan 4. PMID: 36598939; PMCID: PMC9926234.
