Elbasvir
Also known as MK 8742, elbasvirum, 2-(pyrrolidin-2-yl)-5-(2-(4-(5-(pyrrolidin-2-yl)-1H-imidazol-2-yl)phenyl)benzofuran-5-yl)-1H-imidazole
Key facts
What buyers check first
- CAS number
- 1370468-36-2
- Formula
- C49H55N9O7
- Molar mass
- 882.04 g/mol
- EC number
- 806-907-5
- HS code
- 293499
- Category
- Antibiotics and anti-infectives
What is Elbasvir?
Plain description, key identifiers and synonyms
Elbasvir is a complex organic heterotetracyclic compound that is a hepatitis C virus nonstructural protein 5A inhibitor used in combination with grazoprevir (under the brand name Zepatier) for treatment of chronic HCV genotypes 1 or 4 infection in adults. It has a role as an antiviral drug, a hepatoprotective agent and a hepatitis C virus nonstructural protein 5A inhibitor. It is a carbamate ester, a member of imidazoles, a ring assembly, an organic heterotetracyclic compound, a N-acylpyrrolidine and a L-valine derivative.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- methyl N-[(2S)-1-[(2S)-2-[5-[(6S)-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
- CAS number
- 1370468-36-2 CAS number cross-checked
- EC number
- 806-907-5
- Molecular formula
- C49H55N9O7
- UNII
- 632L571YDK
- MDL number
- MFCD28124343
- InChIKey
- BVAZQCUMNICBAQ-PZHYSIFUSA-N
- InChI
- InChI=1S/C49H55N9O7/c1-27(2)41(54-48(61)63-5)45(59)56-20-10-14-37(56)43-50-25-34(52-43)30-17-19-36-32(22-30)23-39-33-18-16-31(24-40(33)65-47(58(36)39)29-12-8-7-9-13-29)35-26-51-44(53-35)38-15-11-21-57(38)46(60)42(28(3)4)55-49(62)64-6/h7-9,12-13,16-19,22-28,37-38,41-42,47H,10-11,14-15,20-21H2,1-6H3,(H,50,52)(H,51,53)(H,54,61)(H,55,62)/t37-,38-,41-,42-,47-/m0/s1
- Canonical SMILES
- COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc3c(c2)OC(c2ccccc2)n2c-3cc3cc(-c4cnc(C5CCCN5C(=O)C(NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C
- Isomeric SMILES
- CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC4=C(C=C3)N5[C@@H](OC6=C(C5=C4)C=CC(=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)[C@H](C(C)C)NC(=O)OC)C9=CC=CC=C9)NC(=O)OC
Synonyms
- MK 8742
- elbasvirum
- 2-(pyrrolidin-2-yl)-5-(2-(4-(5-(pyrrolidin-2-yl)-1H-imidazol-2-yl)phenyl)benzofuran-5-yl)-1H-imidazole
- Elbasvir (Standard)
- MK8742, Elbasvir
- Elbasvir(MK-8742)?
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 | 882.04 g/molcalc.Computed value |
|---|---|
| Exact mass | 881.4224 Dacalc.Computed value |
| LogP (octanol/water) | 8.12calc.Computed value |
| Topological polar surface area | 188.8 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 4calc.Computed value |
| Hydrogen bond acceptors | 9calc.Computed value |
| Rotatable bonds | 11calc.Computed value |
| Heavy atoms | 65calc.Computed value |
| Rings | 9calc.Computed value |
| Aromatic rings | 6calc.Computed value |
| Fraction sp3 carbons | 0.39calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 5calc.Computed value |
| Lipinski rule of five | Fails (2 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
c1ccc(C2Oc3cc(-c4cnc(C5CCCN5)[nH]4)ccc3-c3cc4cc(-c5cnc(C6CCCN6)[nH]5)ccc4n32)cc1
9 rings, 43 atoms.
5 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (3)
- P273Avoid release to the environment.
- P391Collect spillage.
- 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 aidElbasvir suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- ChinaUnclaimed profileElbasvirGrade, purity and minimum order on requestPrice on request
- Price on request
- China, Ningbo ManufacturerUnclaimed profileElbasvirGrade, purity and minimum order on requestPrice on request
- China, Nanjing ManufacturerUnclaimed profileElbasvirGrade, purity and minimum order on requestPrice on request
- United States ManufacturerUnclaimed profileElbasvirGrade, purity and minimum order on requestPrice on request
- China, NanjingUnclaimed profileElbasvirGrade, purity and minimum order on requestPrice on request
- China, GuangzhouUnclaimed profileElbasvirGrade, purity and minimum order on requestPrice on request
- Price on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
8 suppliers in 4 countries
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Elbasvir price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Roles
- antiinfective agent
- antimicrobial agent
- antimicrobial drug
- antiviral agent
- antiviral drug
- hepatitis C virus nonstructural protein 5A inhibitor
- hepatoprotective agent
- pharmaceutical
- protective agent
Pharmacology
Elbasvir is a Hepatitis C Virus NS5A Inhibitor. The mechanism of action of elbasvir is as a Breast Cancer Resistance Protein Inhibitor.
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Elbasvir 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 Elbasvir is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Elbasvir, based on the data on this page
What is Elbasvir?
What is the CAS number of Elbasvir?
What is the molecular formula and weight of Elbasvir?
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Guides for buyers
Practical guides that help when you source, ship or handle Elbasvir
- 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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