OTHER INFORMATION
of 'Remdesivir Alanine D4'
|
| Therapeutic : |
COVID19 |
| Therapeutic : |
COVID19 |
| IUPAC Name : | 2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate |
| Chemical name of this compound, computed from its structure based on the International Union of Pure and Applied Chemistry (IUPAC) nomenclature standards. |
| Smileys : | N#C[C@@]1(C2=CC=C3C(N)=NC=NN32)O[C@H](COP(OC4=CC=CC=C4)(N[C@](C(OCC(CC)CC)=O)(C([2H])([2H])[2H])[2H])=O)[C@@H](O)[C@H]1O |
| Use Classification : | Human drugs -> Veklury -> EMA Drug Category |
| This section contains use classification/category information for this compound from various sources. |
| Hazard Class : | STOT RE 1 (66.67%) |
| The Hazard Classes and Categories are aligned with GHS (Globally Harmonized System of Classification and Labelling of Chemicals) hazard statement codes. |
| EC Number : | 852-825-8 |
| The European Community (EC) number is a seven-digit identifier assigned by the European Chemicals Agency (ECHA) to substances for regulatory purposes within the European Union. EC numbers are sometimes referred to as EINECS, ELINCS, or NLP numbers |
| UNII : | 3QKI37EEHE |
| UNique Ingredient Identifier (UNII) code for this chemical. It is a non-proprietary registry number assigned by the U.S. Food and Drug Administration (FDA). |
| NCI Thesaurus Code : | C152185 |
| Stable, unique code for biomedical concept |
| RXCUI : | 2284718 |
| Stable, unique code for biomedical concept |
| MeSH Entry Terms : | (13C3)-GS-5734 |
| Medical Subject Heading (MeSH) names or identifiers matching this PubChem Compound record. The matching between the MeSH and compound records is performed by name matching (i.e., identical common names) |
| Other Synonyms : | 1809249-37-3 |
| Removed Synonyms : | Remdesivir intermediates |
| Label Ingredient : |
REMDESIVIR |
| Active ingredient(s) of the drug product. |
| NDC Code : | 61958-2901-1, 61958-2901-2, 61958-2902-1, 61958-2902-2 |
| U.S. Food & Drug Administration (FDA)'s National Drug Code (NDC) for the drug product. |
| Toxicity Summary : | Data regarding overdoses of remdesivir are not readily available. Overdoses of other nucleoside analogs like acyclovir can be managed with symptomatic and supportive treatment. |
| Summary of the toxicity of this compound, provided by the Hazardous Substances Data Bank (HSDB). |
| Hepatotoxicity : | In human volunteer studies, remdesivir therapy given for 7 to 14 days was associated with minor serum aminotransferase elevations (less than 5 times ULN) but without other evidence of hepatic injury. In controlled trials of remdesivir in patients hospitalized with COVID-19, rates of serum ALT elevations were similar or lower in patients receiving remdesivir than in those on placebo. Nevertheless, in most uncontrolled studies and case series, between 10% and 50% of patients treated with remdesivir developed transient, mild-to-moderate serum ALT and AST elevations within 1 to 5 days of starting therapy without changes in serum bilirubin or alkaline phosphatase levels. Elevations above 5 times ULN were reported in up to 9% of patients in several clinical trials, but the abnormalities resolved with discontinuation and were not associated with clinically apparent injury. With more widespread use of remdesivir for COVID-19, rare instances of marked ALT elevations with jaundice have been reported, but largely in patients who were critically ill with multi-organ failure or sepsis, or who had received other potentially hepatotoxic agents such as intravenous amiodarone (Case 2). Confounding the issue is that serum aminotransferase elevations are common during symptomatic SARS-CoV-2 infection (Case 1), present in up to 60% of patients and being more frequent in patients with severe disease and in those with the known risk factors for COVID-19 severity such as male sex, older age, higher body mass index and diabetes. Thus, serum aminotransferase elevations are common during remdesivir therapy but are generally asymptomatic, fully reversible and not associated with jaundice. With more widespread use of this antiviral in patients without severe or critical illness and with longer courses of therapy, features of hepatotoxicity may become more evident. |
| This section provides a short description about the hepatotoxicity associated with this compound, the rate of serum enzyme elevations during use, and the frequency and character of the clinically apparent liver injury associated with the compound. |
| Protein Binding : | Remdesivir is 88-93.6% bound to human plasma proteins while its metabolites [GS-441524] and GS-704277 are 2% and 1% bound, respectively. |
| In this section, "protein binding" refers to the degree to which medications attach to plasma proteins (i.e., proteins within the blood, such as human serum albumin, lipoprotein, glycoprotein and globulins) |
| Exact Mass : | 602.22539909 |
| The exact mass of an isotopic species is obtained by summing the masses of the individual isotopes of the molecule. |
| InChI : | InChI=1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31)/t17-,21+,23+,24+,27-,42-/m0/s1 |
| The International Chemical Identifier (InChI) is a computed, non-proprietary identifier for a chemical structure. The InChI is an International Union of Pure and Applied Chemistry (IUPAC) standard. |
| InchIKey : | RWWYLEGWBNMMLJ-YSOARWBDSA-N |
| An InChIKey is a 27-character hash code derived from an InChI. The International Chemical Identifier (InChI) is a computed, non-proprietary identifier for a chemical structure. |
| Canonical SMILES : | CCC(CC)COC(=O)C(C)NP(=O)(OCC1C(C(C(O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4 |
| The Simplified Molecular-Input Line-Entry System (SMILES) is a widely-used line notation for chemical structures. |
| Isomeric SMILES : | CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@H]([C@H]([C@](O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4 |
| The Simplified Molecular-Input Line-Entry System (SMILES) is a widely-used line notation for chemical structures. |
| Product Description : | Remdesivir is a carboxylic ester resulting from the formal condensation of the carboxy group of N-[(S)-{[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(phenoxy)phosphoryl]-L-alanine with the hydroxy group of 2-ethylbutan-1-ol. A broad-spectrum antiviral prodrug with potent in vitro antiviral activity against a diverse panel of RNA viruses such as Ebola virus, MERS-CoV and SARS-CoV. It is currently in Phase III clinical trials for the treatment of Covid-19 in adults. It has a role as an antiviral drug, a prodrug and an anticoronaviral agent. It is a carboxylic ester, a pyrrolotriazine, a nitrile, a phosphoramidate ester, a C-nucleoside and an aromatic amine. It derives from a GS-441524. |
| Custom Duty : |
Applicable |
| Port of Loading : |
Canada |
| Expected Dispatch : |
2-3 Weeks |
| Taxes : |
Not Applicable |
| Refund Policy : |
30-days money back |
| Custom Duty : |
Applicable |
| Port of Loading : |
Canada |
| Expected Dispatch : |
2-3 Weeks |
| Taxes : |
Not Applicable |
| Refund Policy : |
30-days money back |
.PNG)