Doramapimod
Also known as BIRB-796, BIRB 796, BIRB796
Key facts
What buyers check first
- CAS number
- 285983-48-4
- Formula
- C31H37N5O3
- Molar mass
- 527.67 g/mol
- EC number
- 111-112-5
- HS code
- 293499
- Category
- Analgesics and anti-inflammatories
What is Doramapimod?
Plain description, key identifiers and synonyms
Doramapimod is a member of the class of pyrazoles that is an immunomodulator used for treatment of rheumatoid arthritis, Crohn's disease and psoriasis. It has a role as an immunomodulator and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a member of naphthalenes, a member of pyrazoles, an aromatic ether, a member of morpholines and a member of ureas.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
- CAS number
- 285983-48-4 CAS number cross-checked
- EC number
- 111-112-5
- Molecular formula
- C31H37N5O3
- UNII
- HO1A8B3YVV
- MDL number
- MFCD09752957
- InChIKey
- MVCOAUNKQVWQHZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
- SMILES (canonical and isomeric)
- CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5
Synonyms
- BIRB-796
- BIRB 796
- BIRB796
- BIRB-796 BS
- BIRB 796 BS
- 3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea
- Urea, N-[3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-[4-[2-(4-morpholinyl)ethoxy]-1-naphthalenyl]-
- 1-(3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl)-3-(4-(2-(morpholin-4-yl)ethoxy)naphthalen-1-yl)urea
- Urea, N-(3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl)-N'-(4-(2-(4-morpholinyl)ethoxy)-1-naphthalenyl)-
- 1-[3-(1,1-Dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl]urea
- doramapimodum
- 3-(3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl)-1-(4-(2-(morpholin-4-yl)ethoxy)naphthalen-1-yl)urea
- 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3(4-(2-morpholin-4-yl-ethoxy)naph-thalen-1-yl)urea
- BIRB 796 (Doramapimod)
- Doramapimod (BIRB 796)
- 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
- 1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-urea
- Doramapimod (BIRB-796)
- 1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(4-(2-morpholinoethoxy)naphthalen-1-yl)urea
- 1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2-morpholinoethoxy)naphthalen-1-yl)urea
- BIRB 0796
- BIRB-0796
- 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-(2-morpholinoethoxy)-1-naphthyl]urea
- 1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
- 1-[3-(tert-Butyl)-1-(p-tolyl)-5-pyrazolyl]-3-[4-(2-morpholinoethoxy)-1-naphthyl]urea
Show all 35 synonymsShow fewer synonyms
- 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
- N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea
- Doramapimod (USAN/INN)
- Doramapimod (GMP)
- Kinome_2137
- 1kv2
- BIRB 796,Doramapimod
- diaryl urea compound 10
- 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3(4-(2-morpholin-4-yl-ethoxy)naphthalen-1-yl)urea
- BIRB 796BS
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 | 527.67 g/molcalc.Computed value |
|---|---|
| Exact mass | 527.2896 Dacalc.Computed value |
| LogP (octanol/water) | 5.99calc.Computed value |
| Topological polar surface area | 80.65 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 5calc.Computed value |
| Rotatable bonds | 7calc.Computed value |
| Heavy atoms | 39calc.Computed value |
| Rings | 5calc.Computed value |
| Aromatic rings | 4calc.Computed value |
| Fraction sp3 carbons | 0.36calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.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
O=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)Nc1ccnn1-c1ccccc1
5 rings, 34 atoms.
2 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H302Harmful if swallowed.
Precautionary statements (5)
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P301 + P317If swallowed: Get medical help.
- P330Rinse mouth.
- 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 aidDoramapimod suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, ShanghaiUnclaimed profileDoramapimodGrade, purity and minimum order on requestPrice on request
- ChinaUnclaimed profileDoramapimodGrade, purity and minimum order on requestPrice on request
- China, NanjingUnclaimed profileDoramapimodGrade, purity and minimum order on requestPrice on request
- United States, HaywardUnclaimed profileDoramapimodGrade, purity and minimum order on requestPrice on request
- United States, Redwood CityUnclaimed profileDoramapimodGrade, purity and minimum order on requestPrice on request
- GermanyUnclaimed profileDoramapimodGrade, purity and minimum order on requestPrice on request
- Singapore, SingaporeUnclaimed profileDoramapimodGrade, purity and minimum order on requestPrice on request
- Hong Kong, Hong KongUnclaimed profileDoramapimodGrade, purity and minimum order on requestPrice on request
- China, SuzhouUnclaimed profileDoramapimodGrade, purity and minimum order on requestPrice on request
- China, ShanghaiUnclaimed profileDoramapimodGrade, purity and minimum order on requestPrice on request
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Where suppliers are based
26 suppliers in 6 countries
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Doramapimod 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
- antipsoriatic
- antirheumatic drug
- dermatologic drug
- enzyme inhibitor
- immunomodulator
- pharmaceutical
- protein kinase 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 Doramapimod 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 Doramapimod is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Doramapimod, based on the data on this page
What is Doramapimod?
What is the CAS number of Doramapimod?
What is the molecular formula and weight of Doramapimod?
What is Doramapimod used for?
Is Doramapimod hazardous?
What is the HS code of Doramapimod?
Where can I buy Doramapimod?
What is the price of Doramapimod?
Guides for buyers
Practical guides that help when you source, ship or handle Doramapimod
- 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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