GC813 sodium

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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.

Chemical Structure

GC813 sodium
CAS# 2170616-59-6 (sodium)

Theoretical Analysis

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

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
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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 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

Preparing Stock Solutions

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.

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

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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.