MedKoo Cat#: 125630 | Name: GC-78 HCl

Description:

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

GC-78 is a Noncovalent Severe Acute Respiratory Syndrome Corona virus 2 Main Protease Inhibitor with Improved Antiviral Activity. GC-78 demonstrated high enzyme−inhibitory potency (IC50 = 0.19μM) and exhibited excellent antiviral activity (EC50 = 0.40μM),reaching the same level as Nirmatrelvir (EC50= 0.38μM). Additionally,GC-78 displayed potent antiviral activitie sagainst various SARS-CoV-2 variants as well as HCoV-OC 43 and HCoV-229E, indicating its potential broad-spectrum anticoronaviral activity. Notably,the pharmacokinetic propertiesof GC-78 were some what enhanced compared to those of the lead compound. Furthermore, the cocrystaland molecular docking elucidated the mechanism of action.

Chemical Structure

GC-78 HCl
GC-78 HCl
CAS#3022242-53-8

Theoretical Analysis

MedKoo Cat#: 125630

Name: GC-78 HCl

CAS#: 3022242-53-8

Chemical Formula: C25H25Cl3N4O4

Exact Mass: 550.0900

Molecular Weight: 551.85

Elemental Analysis: C, 54.41; H, 4.57; Cl, 19.27; N, 10.15; O, 11.60

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
GC-78-HCl; GC78 HCl; GC78-HCl; GC 78 HCl
IUPAC/Chemical Name
(S)-1-(3,4-dichlorophenyl)-4-(4-methoxynicotinoyl)-N-(4-methoxyphenyl)piperazine-2-carboxamide hydrochloride
InChi Key
HWGOTQBAADZCEL-FTBISJDPSA-N
InChi Code
InChI=1S/C25H24Cl2N4O4.ClH/c1-34-18-6-3-16(4-7-18)29-24(32)22-15-30(25(33)19-14-28-10-9-23(19)35-2)11-12-31(22)17-5-8-20(26)21(27)13-17;/h3-10,13-14,22H,11-12,15H2,1-2H3,(H,29,32);1H/t22-;/m0./s1
SMILES Code
O=C(NC1=CC=C(OC)C=C1)[C@@H]2CN(C(C3=CN=CC=C3OC)=O)CCN2C4=CC(Cl)=C(C=C4)Cl.Cl
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 551.85 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
Gao S, Song L, Sylvester K, Mercorelli B, Loregian A, Toth K, Weiße RH, Useini A, Sträter N, Yang M, Ye B, Tollefson AE, Müller CE, Liu X, Zhan P. Design, Synthesis, and Biological Evaluation of Trisubstituted Piperazine Derivatives as Noncovalent Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors with Improved Antiviral Activity and Favorable Druggability. J Med Chem. 2023 Nov 22. doi: 10.1021/acs.jmedchem.3c01876. Epub ahead of print. PMID: 37992202.