Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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Why this grade
Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview
Diflapolin is a highly active dual 5-lipoxygenase-activating protein (FLAP)/soluble epoxide hydrolase (sEH) inhibitor with marked anti-inflammatory efficacy and high target selectivity. Diflapolin inhibits 5-LOX product formation in intact human monocytes and neutrophils with IC50s of 30 and 170 nM, respectively, and suppressed the activity of isolated sEH (IC50=20 nM).
Specifications
Specifications & Purity
Moligand™, ≥98%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of epoxide hydrolase 2
Purity
≥98%
Names and Identifiers
| Canonical Smiles | CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)NC(=O)NC4=CC(=C(C=C4)Cl)Cl |
|---|---|
| IUPAC Name | 1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-3-(3,4-dichlorophenyl)urea |
| InChIKey | FGXLEECGXSDIMM-UHFFFAOYSA-N |
| INCHI | 1S/C22H17Cl2N3O2S/c1-13-10-15(29-12-21-26-19-4-2-3-5-20(19)30-21)7-9-18(13)27-22(28)25-14-6-8-16(23)17(24)11-14/h2-11H,12H2,1H3,(H2,25,27,28) |
| Isomeric SMILES | CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)NC(=O)NC4=CC(=C(C=C4)Cl)Cl |
| PubChem CID | 4560409 |
| Molecular Weight | 458.36 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Benzenoids
- Class Benzene and substituted derivatives
- Subclass N-phenylureas
- Class Benzene and substituted derivatives
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | N-phenylureas |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-phenylureas |
| Alternative Parents | Benzothiazoles Phenoxy compounds Phenol ethers Dichlorobenzenes Toluenes Alkyl aryl ethers Aryl chlorides Thiazoles Heteroaromatic compounds Ureas Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-phenylurea - 1,3-benzothiazole - Phenoxy compound - Phenol ether - 1,2-dichlorobenzene - Alkyl aryl ether - Chlorobenzene - Toluene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Thiazole - Urea - Azacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Associated Targets(Human)
EPHX2 Tchem Bifunctional epoxide hydrolase 2 (3 Activities)
ALOX5 Tclin Arachidonate 5-lipoxygenase (1 Activities)
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ALOX5AP Tchem Arachidonate 5-lipoxygenase-activating protein (1 Activities)
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ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
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ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)
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ALOX5AP Tchem 5-lipoxygenase activating protein (3184 Activities)
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GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CSNK1D Tchem Casein kinase I delta (4546 Activities)
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CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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EPHX2 Tchem Epoxide hydratase (3844 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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U2OS (164939 Activities)
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BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
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TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
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BRPF1 Tchem Peregrin (2217 Activities)
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Associated Targets(non-human)
Mapk1 MAP kinase ERK2 (650 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2415333 | Certificate of Analysis | Apr 30, 2024 | D609883 |
| H2415334 | Certificate of Analysis | Apr 30, 2024 | D609883 |
| H2415335 | Certificate of Analysis | Apr 30, 2024 | D609883 |
| H2415336 | Certificate of Analysis | Apr 30, 2024 | D609883 |
| H2415337 | Certificate of Analysis | Apr 30, 2024 | D609883 |
| H2415338 | Certificate of Analysis | Apr 30, 2024 | D609883 |
| H2415339 | Certificate of Analysis | Apr 30, 2024 | D609883 |
| H2415340 | Certificate of Analysis | Apr 30, 2024 | D609883 |
| H2415356 | Certificate of Analysis | Apr 30, 2024 | D609883 |
| H2415357 | Certificate of Analysis | Apr 30, 2024 | D609883 |
Chemical and Physical Properties
| Molecular Weight | 458.400 g/mol |
|---|---|
| XLogP3 | 6.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 457.042 Da |
| Monoisotopic Mass | 457.042 Da |
| Topological Polar Surface Area | 91.500 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 587.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
Reviews
Customer Reviews
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