Obefazimod
Also known as 8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine, 8-Chloro-N-(4-(trifluoromethoxy)phenyl)quinolin-2-amine, Abx 464
Key facts
What buyers check first
- CAS number
- 1258453-75-6
- Formula
- C16H10ClF3N2O
- Molar mass
- 338.72 g/mol
- EC number
- 824-937-7
- HS code
- 293349
- Category
- Analgesics and anti-inflammatories
What is Obefazimod?
Plain description, key identifiers and synonyms
Obefazimod is an orally available, small molecule binder of the cap binding complex (CBC) 80/20, with potential antiviral and anti-inflammatory activities. Upon oral administration, obefazimod binds to the CBC, a complex at the 5'-end of the pre-mRNA transcript that promotes the initial interaction with transcription and processing machinery. This leads to a conformational change in the CBC and enhanced splicing of viral RNA variants and upregulation of the anti-inflammatory microRNA, miR-124, via splicing of a long noncoding RNA at the miR-124-1 locus. In human immunodeficiency virus type 1 (HIV-1)-infected cells, obefazimod interacts with the CBC of HIV-1 mRNA and inhibits viral replication by preventing Rev-mediated export of unspliced HIV-1 transcripts to the cytoplasm.
Read more
Rev facilitates the nuclear export of unspliced or incompletely spliced viral pre-mRNAs, an essential step in HIV-1 replication. In inflammatory conditions, miR-124 reduces the production of various inflammatory mediators, including interleukin 6 (IL-6), tumor necrosis factor alpha (TNF-alpha), and C-C motif chemokine 2 (CCL2, MCP-1.). miR-124 plays a critical role in innate and adaptive immune responses and is a critical mediator of cholinergic anti-inflammatory action.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine
- CAS number
- 1258453-75-6
- EC number
- 824-937-7
- Molecular formula
- C16H10ClF3N2O
- UNII
- 26RU378B9V
- MDL number
- MFCD31657325
- InChIKey
- OZOGDCZJYVSUBR-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H10ClF3N2O/c17-13-3-1-2-10-4-9-14(22-15(10)13)21-11-5-7-12(8-6-11)23-16(18,19)20/h1-9H,(H,21,22)
- SMILES (canonical and isomeric)
- C1=CC2=C(C(=C1)Cl)N=C(C=C2)NC3=CC=C(C=C3)OC(F)(F)F
Synonyms
- 8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine
- 8-Chloro-N-(4-(trifluoromethoxy)phenyl)quinolin-2-amine
- Abx 464
- 2-Quinolinamine, 8-chloro-N-(4-(trifluoromethoxy)phenyl)-
- Rev Inhibitor ABX-464
- CBC 80/20 Binder ABX-464
- Cap Binding Complex 80/20 Binder ABX-464
- Obefazimod (USAN)
- WHO 12112
- ABX464(ABX-464
- ABX464?
- ABX 464)
- ABX464(ABX-464, ABX 464)
- (4-Trifluoromethoxyphenyl)(8-chloro-2-quinolyl)amine
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 | 338.72 g/molcalc.Computed value |
|---|---|
| Exact mass | 338.0434 Dacalc.Computed value |
| LogP (octanol/water) | 5.53calc.Computed value |
| Topological polar surface area | 34.15 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 3calc.Computed value |
| Heavy atoms | 23calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 3calc.Computed value |
| Fraction sp3 carbons | 0.06calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (1 violation)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(Nc2ccc3ccccc3n2)cc1
3 rings, 17 atoms, the 2-Anilinoquinoline ring system.
62 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H302Harmful if swallowed.
- H315Causes skin irritation.
- H319Causes serious eye irritation.
- H335May cause respiratory irritation.
Precautionary statements (19)
- 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.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P301 + P317If swallowed: Get medical help.
- P302 + P352If on skin: Wash with plenty of water.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P319Get medical help if you feel unwell.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P330Rinse mouth.
- P332 + P317If skin irritation occurs: Get medical help.
- P337 + P317If eye irritation persists: Get medical help.
- P362 + P364Take off contaminated clothing. And wash it before reuse.
- 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 aidObefazimod suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- United States, RestonUnclaimed profileObefazimodGrade, 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
2 suppliers in 2 countries
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Obefazimod 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
Roles
- anti-HIV agent
- anti-inflammatory agent
- antimicrobial agent
- antirheumatic drug
- antiviral agent
- pharmaceutical
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 Obefazimod is traded under.
Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…
- China30.1%
- India * partner reported16.7%
- Switzerland * partner reported14.1%
- United Kingdom19.2%
- Germany16.0%
- Romania8.3%
* Partner reported figures, a lower bound.
The HS code shown for Obefazimod is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
![8-Chloro-N-[3-chloro-4-(trifluoromethoxy)phenyl]-2-quinolinamine chemical structure, C16H9Cl2F3N2O, CAS 1258453-90-5](/s/VLWWBNACECPLGM-UHFFFAOYSA-N.svg)
![8-Chloro-N-[2-methyl-4-(trifluoromethoxy)phenyl]-2-quinolinamine chemical structure, C17H12ClF3N2O, CAS 1258453-79-0](/s/DMGALOCEQNYOHP-UHFFFAOYSA-N.svg)
![N-[4-(Trifluoromethoxy)phenyl]-2-quinolinamine chemical structure, C16H11F3N2O, CAS 1258420-51-7](/s/BCTMSDUZMDOITG-UHFFFAOYSA-N.svg)
![2-[4-[(8-Chloro-2-quinolinyl)amino]phenoxy]ethanol chemical structure, C17H15ClN2O2, CAS 1381954-51-3](/s/CDRBXJDVDCNVCR-UHFFFAOYSA-N.svg)
Same formula isomers
Different compounds that share this molecular formula
![1-(4-Chlorophenyl)-2-[2-(trifluoromethyl)-1H-benzimidazol-1-yl]ethanone chemical structure, C16H10ClF3N2O, CAS 321980-89-6](/s/NGPQIOIQFYXTFJ-UHFFFAOYSA-N.svg)
![4-(3-Chlorophenyl)-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one chemical structure, C16H10ClF3N2O, CAS 64124-06-7](/s/PBEMXBIJVNPFDL-UHFFFAOYSA-N.svg)
![4-(4-Chlorophenyl)-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one chemical structure, C16H10ClF3N2O, CAS 400075-11-8](/s/WDWNFNKSOZZQOA-UHFFFAOYSA-N.svg)
![2-(Chloromethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one chemical structure, C16H10ClF3N2O, CAS 312510-67-1](/s/WIBYDDUCFSUCFE-UHFFFAOYSA-N.svg)
![1-{1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indol-3-yl}-1-ethanone chemical structure, C16H10ClF3N2O, CAS 339099-11-5](/s/HDSCHJNGKBPWGR-UHFFFAOYSA-N.svg)
![N-[2-Chloro-5-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide chemical structure, C16H10ClF3N2O, CAS 1428363-90-9](/s/OKMNPTRBKGHHPO-UHFFFAOYSA-N.svg)
![2-[2-Chloro-4-(trifluoromethyl)phenyl]-4-methyl-1(2H)-phthalazinone chemical structure, C16H10ClF3N2O, CAS 551921-15-4](/s/WOIXGDDGMKTTAB-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about Obefazimod, based on the data on this page
What is Obefazimod?
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What is the molecular formula and weight of Obefazimod?
What is Obefazimod used for?
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Guides for buyers
Practical guides that help when you source, ship or handle Obefazimod
- 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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