Gs-441524
Also known as GS 441524, 2-C-(4-Aminopyrrolo(2,1-f)(1,2,4)triazin-7-yl)-2,5-anhydro-D-altrononitrile, 2-c-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-anhydro-d-altrononitrile
Key facts
What buyers check first
- CAS number
- 1191237-69-0
- Formula
- C12H13N5O4
- Molar mass
- 291.27 g/mol
- EC number
- 857-885-9
- HS code
- 293499
- Category
- Impurities and reference standards
What is Gs-441524?
Plain description, key identifiers and synonyms
GS-441524 is a C-nucleoside analog that is (2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-carbonitrile substituted by a 4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl group at position 2. It is the active metabolite of remdesivir and exhibits a broad range of inhibitory activity against various RNA viruses including HCV, parainfluenza and SARS-CoV. It has a role as an anticoronaviral agent, an antiviral agent and a drug metabolite. It is a nitrile, an aromatic amine, a C-nucleoside and a pyrrolotriazine.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile
- CAS number
- 1191237-69-0 CAS number cross-checked
- EC number
- 857-885-9
- Molecular formula
- C12H13N5O4
- UNII
- 1BQK176DT6
- MDL number
- MFCD32666994
- InChIKey
- BRDWIEOJOWJCLU-LTGWCKQJSA-N
- InChI
- InChI=1S/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9-,10-,12+/m1/s1
- Canonical SMILES
- N#CC1(c2ccc3c(N)ncnn23)OC(CO)C(O)C1O
- Isomeric SMILES
- C1=C2C(=NC=NN2C(=C1)[C@]3([C@@H]([C@@H]([C@H](O3)CO)O)O)C#N)N
Synonyms
- GS 441524
- 2-C-(4-Aminopyrrolo(2,1-f)(1,2,4)triazin-7-yl)-2,5-anhydro-D-altrononitrile
- 2-c-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-anhydro-d-altrononitrile
- D-Altrononitrile, 2-C-(4-aminopyrrolo(2,1-f)(1,2,4)triazin-7-yl)-2,5-anhydro-
- 13C3 GS-441524
- (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-carbonitrile
- Remdesivir Impurity 5
- (2R,3R,4S,5R)-2-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile
- EVO 984
- (2R,3R,4S,5R)-2-{4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl}-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile
- (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile
- reacted form
- (2R,3R,4S,5R)-2-(4-Aminopyrrolo[1,2-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-carbonitrile
- Nucleoside of Remdesivir
- Remdesivir metabolite(GS-441524)
- Remdesivir metabolite(GS-441524)?
- Remdesivir intermediate(GS-441524)
- Remdesivir intermediate?GS-441524?
- (2R,3R,4S,5R)-2-(4-Aminopyrrolo(2,1-f)(1,2,4)triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furancarbonitrile
- (2R,3R,4S,5R)-2-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(h
- (2R,3R,4S,5R)-2-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furancarbonitrile
- (2r,3r,4s,5r)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazine-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile
- (2R3R4S5R)-2-(4-aminopyrrolo[21-f][124]triazin-7-yl)-34-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-carbonitrile
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 291.27 g/molcalc.Computed value |
|---|---|
| Exact mass | 291.0968 Dacalc.Computed value |
| LogP (octanol/water) | -1.86calc.Computed value |
| Topological polar surface area | 149.9 Ųcalc.Computed value |
| Hydrogen bond donors | 4calc.Computed value |
| Hydrogen bond acceptors | 8calc.Computed value |
| Rotatable bonds | 2calc.Computed value |
| Heavy atoms | 21calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.42calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 4calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H315Causes skin irritation.
- H317May cause an allergic skin reaction.
- H318Causes serious eye damage.
- H334May cause allergy or asthma symptoms or breathing difficulties if inhaled.
- H335May cause respiratory irritation.
- H341Suspected of causing genetic defects.
- H361Suspected of damaging fertility or the unborn child.
- H371May cause damage to organs.
Precautionary statements (27)
- P203Obtain, read and follow all safety instructions before use.
- P233Keep container tightly closed.
- P260Do not breathe dust, fume, gas, mist, vapours or spray.
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P270Do not eat, drink or smoke when using this product.
- P271Use only outdoors or in a well-ventilated area.
- P272Contaminated work clothing should not be allowed out of the workplace.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P284In case of inadequate ventilation wear respiratory protection.
- P302 + P352If on skin: Wash with plenty of water.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P308 + P316If exposed or concerned: Get emergency medical help immediately.
- P317Get medical help.
- P318If exposed or concerned, get medical advice.
- P319Get medical help if you feel unwell.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P332 + P317If skin irritation occurs: Get medical help.
- P333 + P317If skin irritation or rash occurs: Get medical help.
- P342 + P316If experiencing respiratory symptoms: Get emergency medical help immediately.
- P362 + P364Take off contaminated clothing. And wash it before reuse.
- P403Store in a well-ventilated place.
- P403 + P233Store in a well-ventilated place. Keep container tightly closed.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidGs-441524 suppliers
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- China, Huaian ManufacturerUnclaimed profileGs-441524Grade, purity and minimum order on requestPrice on request
- China ManufacturerUnclaimed profileGs-441524Grade, purity and minimum order on requestPrice on request
- United States, HoustonUnclaimed profileGs-441524Grade, purity and minimum order on requestPrice on request
- United States, HaywardUnclaimed profileGs-441524Grade, purity and minimum order on requestPrice on request
- GermanyUnclaimed profileGs-441524Grade, purity and minimum order on requestPrice on request
- China, ShanghaiUnclaimed profileGs-441524Grade, purity and minimum order on requestPrice on request
- United StatesUnclaimed profileGs-441524Grade, purity and minimum order on requestPrice on request
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24 suppliers in 4 countries
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Gs-441524 price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Industries and functions
Pharmacological actions
- Antiviral Agents
Roles
- animal metabolite
- anticoronaviral agent
- antimicrobial agent
- antiviral agent
- drug metabolite
- eukaryotic metabolite
- human metabolite
- human xenobiotic metabolite
- mammalian metabolite
- metabolite
- xenobiotic metabolite
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- Active ingredient in FDA approved drug labels
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Gs-441524 is traded under.
Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934
- United States24.5%
- Germany23.1%
- Japan4.5%
The HS code shown for Gs-441524 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Gs-441524, based on the data on this page
What is Gs-441524?
What is the CAS number of Gs-441524?
What is the molecular formula and weight of Gs-441524?
What is Gs-441524 used for?
Is Gs-441524 hazardous?
What is the HS code of Gs-441524?
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Guides for buyers
Practical guides that help when you source, ship or handle Gs-441524
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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