WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 565441
CAS#: 2170616-59-6 (sodium)
Description: GC813 is a potent and permeable inhibitor of MERS coronavirus 3CL protease. GC813 is analogue of GC376.
MedKoo Cat#: 565441
Name: GC813 sodium
CAS#: 2170616-59-6 (sodium)
Chemical Formula: C22H31ClN3NaO8S
Exact Mass: 532.1526
Molecular Weight: 556.0
Elemental Analysis: C, 47.53; H, 5.62; Cl, 6.38; N, 7.56; Na, 4.13; O, 23.02; S, 5.77
This product is not in stock, which may be available by custom synthesis.
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Related CAS #: 2170616-59-6 (sodium) 2170616-58-5 (free acid)
Synonym: GC-813; GC 813; GC813; GC376.-analogue; GC 376.-analogue; GC-376.-analogue;
IUPAC/Chemical Name: sodium (2S)-2-((S)-2-(((3-chlorophenethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonate
InChi Key: ZIVZAVLWWUPQGT-FCSMXUNPSA-M
InChi Code: InChI=1S/C22H32ClN3O8S.Na/c1-13(2)10-17(26-22(30)34-9-7-14-4-3-5-16(23)11-14)20(28)25-18(21(29)35(31,32)33)12-15-6-8-24-19(15)27;/h3-5,11,13,15,17-18,21,29H,6-10,12H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33);/q;+1/p-1/t15-,17-,18-,21?;/m0./s1
SMILES Code: O=S(C(O)[C@@H](NC([C@@H](NC(OCCC1=CC=CC(Cl)=C1)=O)CC(C)C)=O)C[C@H]2C(NCC2)=O)([O-])=O.[Na+]
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: 2934.99.9001
The following data is based on the product molecular weight 556.0 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 |
Gurung AB, Ali MA, Lee J, Abul Farah M, Al-Anazi KM. In silico screening of FDA approved drugs reveals ergotamine and dihydroergotamine as potential coronavirus main protease enzyme inhibitors. Saudi J Biol Sci. 2020 Oct;27(10):2674-2682. doi: 10.1016/j.sjbs.2020.06.005. Epub 2020 Jun 10. PMID: 32837219; PMCID: PMC7286259.
