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™,≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Protected from light,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
FIIN-3 is an irreversible inhibitor of FGFR with an IC 50 of 13.1, 21, 31.4, and 35.3 nM for FGFR1 , FGFR2 , FGFR3 and FGFR4 , respectively.
In Vitro
FIIN-3 potently inhibits both WT FGFRs (EC 50 in the 1- to 41-nM range) and the gatekeeper mutant of FGFR2 (EC 50 of 64 nM). FIIN-3 also strongly inhibits EGFR, with an EC 50 of 43 nM. FIIN-3 shows good potency against gatekeeper mutant V564F; FIIN-3 also is potent against the gatekeeper-plus-1 mutant E565K; FIIN-3 also displays antiproliferative activity (with an EC 50 of 135 nM) against Ba/F3 cells transformed by the EGFR vIII fusion protein, which has a WT EGFR kinase domain. FIIN-3 shows even better activity against EGFR mutant L858R (EC 50 of 17 nM) and moderate activity, displaying an EC 50 of 231 nM, against the EGFR mutant L858R/T790M mutant. In WT FGFR2 Ba/F3 cells, FIIN-3 completely inhibits the FGFR2 autophosphorylation on Tyr656/657 at concentrations as low as 3 nM. In FGFR2 V564M Ba/F3 cells, FIIN-3 is capable of inhibiting the FGFR2 mutant V564M autophosphorylation with partial inhibition at 100 nM and complete inhibition observed at 300 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:FGFR1 13.1 nM (IC 50 ) FGFR2 21 nM (IC 50 ) FGFR3 31.4 nM (IC 50 ) FGFR4 35.3 nM (IC 50 )
Specifications
Specifications & Purity
Moligand™, ≥99%
Biochemical and Physiological Mechanisms
FIIN-3 is an irreversible inhibitor of FGFR with an IC 50 of 13.1, 21, 31.4, and 35.3 nM for FGFR1 , FGFR2 , FGFR3 and FGFR4 , respectively.
Storage
Protected from light, 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
Purity
≥99%
Names and Identifiers
| Canonical Smiles | CN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(CC4=CC=C(C=C4)NC(=O)C=C)C(=O)NC5=C(C(=CC(=C5Cl)OC)OC)Cl |
|---|---|
| IUPAC Name | N-[4-[[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide |
| InChIKey | SFLKJNSBBVSPFE-UHFFFAOYSA-N |
| INCHI | 1S/C34H36Cl2N8O4/c1-5-30(45)40-24-8-6-22(7-9-24)20-44(34(46)41-33-31(35)26(47-3)18-27(48-4)32(33)36)29-19-28(37-21-38-29)39-23-10-12-25(13-11-23)43-16-14-42(2)15-17-43/h5-13,18-19,21H,1,14-17,20H2,2-4H3,(H,40,45)(H,41,46)(H,37,38,39) |
| Isomeric SMILES | CN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(CC4=CC=C(C=C4)NC(=O)C=C)C(=O)NC5=C(C(=CC(=C5Cl)OC)OC)Cl |
| PubChem CID | 73707531 |
| Molecular Weight | 691.61 |
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 Organoheterocyclic compounds
- Class Diazinanes
- Subclass Piperazines
- Class Diazinanes
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Dimethoxybenzenes N-phenylureas Anilides Methoxyanilines Anisoles Dialkylarylamines Dichlorobenzenes Phenoxy compounds N-arylamides Alkyl aryl ethers Aminopyrimidines and derivatives N-methylpiperazines Imidolactams Aryl chlorides Heteroaromatic compounds Acrylic acids and derivatives Secondary carboxylic acid amides Amino acids and derivatives Ureas Trialkylamines Secondary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - N-phenylurea - Dimethoxybenzene - M-dimethoxybenzene - Anilide - Methoxyaniline - Anisole - 1,3-dichlorobenzene - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - N-arylamide - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Chlorobenzene - Halobenzene - Aminopyrimidine - N-alkylpiperazine - N-methylpiperazine - Alkyl aryl ether - Imidolactam - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Heteroaromatic compound - Acrylic acid or derivatives - Carbonic acid derivative - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Urea - Carboxylic acid derivative - Ether - Secondary amine - Azacycle - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organopnictogen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Associated Targets(Human)
EGFR Tclin Epidermal growth factor receptor (1 Activities)
FGFR1 Tclin Fibroblast growth factor receptor 1 (1 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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FGFR4 Tclin Fibroblast growth factor receptor 4 (1 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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FGFR2 Tclin Fibroblast growth factor receptor 2 (3405 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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FGFR1 Tclin Fibroblast growth factor receptor 1 (9149 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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HepG2 (196354 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
Fgfr4 Fibroblast growth factor receptor 4 (138 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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BaF3 (4657 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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rep Replicase polyprotein 1ab (378 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:
Chemical and Physical Properties
| Solubility | DMSO : 10 mg/mL (14.46 mM; Need ultrasonic and warming) |
|---|---|
| Sensitivity | Light sensitive |
| Molecular Weight | 691.600 g/mol |
| XLogP3 | 5.600 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 11 |
| Exact Mass | 690.224 Da |
| Monoisotopic Mass | 690.224 Da |
| Topological Polar Surface Area | 124.000 Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 1020.000 |
| 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 |
Documents & Articles
Solution Calculators
Reviews
Customer Reviews
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