Ensitrelvir fumarate
Ensitrelvir fumarate structure
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Common Name | Ensitrelvir fumarate | ||
|---|---|---|---|---|
| CAS Number | 2757470-18-9 | Molecular Weight | 647.95 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C26H21ClF3N9O6 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Use of Ensitrelvir fumarateEnsitrelvir (S-217622) fumarate is the first orally active non-covalent, non-peptidic, SARS-CoV-2 3CL protease inhibitor (IC50=13 nM)[1][2]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Ensitrelvir fumarate |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Ensitrelvir (S-217622) fumarate is the first orally active non-covalent, non-peptidic, SARS-CoV-2 3CL protease inhibitor (IC50=13 nM)[1][2]. |
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| Related Catalog | |
| In Vitro | In a cytopathic effect (cpe)-inhibition assay of SARS-CoV-2 infected VeroE6/TMPRSS2 cells, Ensitrelvir fumarate shows the EC50 values are approximately 0.4 μM for both wild-type virus and Alpha, Beta, Gamma and Delta variants. EC50 values for SARS-CoV and MERS-CoV were 0.21 and 1.4 μM respectively[1]. |
| In Vivo | Ensitrelvir fumarate dose-dependently inhibits intrapulmonary replication of SARS-CoV-2 in mice[2]. |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C26H21ClF3N9O6 |
|---|---|
| Molecular Weight | 647.95 |
| InChIKey | FBOCUALVLIWPNQ-WLHGVMLRSA-N |
| SMILES | Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)cc3F)c2=O)n1.O=C(O)C=CC(=O)O |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Oral bioavailability in Beagle dog at 3 micromol/2mL/kg measured for 0.25 to 24 hrs b...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5163359
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Name: Oral bioavailability in cynomolgus monkey at 3 micromol/2mL/kg measured for 0.25 to 2...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5163358
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| S-217622 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of Ensitrelvir fumarate? |
| A: InChIKey of Ensitrelvir fumarate is FBOCUALVLIWPNQ-WLHGVMLRSA-N. |
| Q: What is the molecular formula of Ensitrelvir fumarate? |
| A: Molecular formula of Ensitrelvir fumarate is C26H21ClF3N9O6. |
| Q: What is the molecular weight of Ensitrelvir fumarate? |
| A: Molecular weight of Ensitrelvir fumarate is 647.95. |
| Q: What is the CAS number of Ensitrelvir fumarate? |
| A: CAS number of Ensitrelvir fumarate is 2757470-18-9. |
| Q: What is the English name of Ensitrelvir fumarate? |
| A: The English name of Ensitrelvir fumarate is Ensitrelvir fumarate. |
| Q: What English synonyms does Ensitrelvir fumarate have? |
| A: English synonyms of Ensitrelvir fumarate: S-217622. |
| Q: What are the uses of Ensitrelvir fumarate? |
| A: Main uses of Ensitrelvir fumarate: Ensitrelvir (S-217622) fumarate is the first orally active non-covalent, non-peptidic, SARS-CoV-2 3CL protease inhibitor (IC50=13 nM)[1][2]. |
| Q: What is the SMILES notation of Ensitrelvir fumarate? |
| A: SMILES notation of Ensitrelvir fumarate is Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)cc3F)c2=O)n1.O=C(O)C=CC(=O)O. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |