CCF0058981

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MedKoo CAT#: 465270

CAS#: 2708934-53-4

Description: CCF0058981, also known as CCF981, is a ML300-Derived, Noncovalent Inhibitor Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV‑2 3CLpro). CCF0058981 demonstrates nanomolar activity in these respective assays, comparable in potency to remdesivir.

Chemical Structure

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CCF0058981
CAS# 2708934-53-4
Instruction

Theoretical Analysis

MedKoo Cat#: 465270
Name: CCF0058981
CAS#: 2708934-53-4
Chemical Formula: C24H19ClN6O
Exact Mass: 442.13
Molecular Weight: 442.907
Elemental Analysis: C, 65.08; H, 4.32; Cl, 8.00; N, 18.98; O, 3.61

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.
Note: Price will be listed if it is available in the future.

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Synonym: CCF0058981; CCF 0058981; CCF-0058981; CCF981; CCF-981; CCF 981;

IUPAC/Chemical Name: N-(4-(1H-imidazol-4-yl)phenyl)-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)acetamide

InChi Key: NQTRFDLUODRJKC-UHFFFAOYSA-N

InChi Code: InChI=1S/C24H19ClN6O/c25-19-5-3-4-17(12-19)14-30(20-10-8-18(9-11-20)22-13-26-16-27-22)24(32)15-31-23-7-2-1-6-21(23)28-29-31/h1-13,16H,14-15H2,(H,26,27)

SMILES Code: O=C(N(C1=CC=C(C2=CNC=N2)C=C1)CC3=CC=CC(Cl)=C3)CN4N=NC5=CC=CC=C54

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: 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:

Preparing Stock Solutions

The following data is based on the product molecular weight 442.91 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Han SH, Goins CM, Arya T, Shin WJ, Maw J, Hooper A, Sonawane DP, Porter MR, Bannister BE, Crouch RD, Lindsey AA, Lakatos G, Martinez SR, Alvarado J, Akers WS, Wang NS, Jung JU, Macdonald JD, Stauffer SR. Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CLpro). J Med Chem. 2021 Aug 4. doi: 10.1021/acs.jmedchem.1c00598. Epub ahead of print. PMID: 34347470.