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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224,000+ research products · Triple ISO certified · COA & SDS available for every product · Same-day shipping on in-stock items
Why this grade
Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships 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.
Specifications
Specifications & Purity
Moligand™, ≥98%
Storage
Room temperature
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of ABL proto-oncogene 1; non-receptor tyrosine kinase;Inhibitor of discoidin domain receptor tyrosine kinase 1;Inhibitor of discoidin domain receptor tyrosine kinase 2;Inhibitor of EPH receptor A2;Inhibitor of EPH receptor A7;Inhibitor of EPH re
Purity
≥98%
Names and Identifiers
| Canonical Smiles | CN1CCN(CC1)Cc1cc(NC(=O)c2ccc(c(c2)C#Cc2cnc3n2ccnc3)C(C)C)cc(c1)C(F)(F)F |
|---|---|
| IUPAC Name | 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide |
| InChIKey | IUGBGEUCXVKGQK-UHFFFAOYSA-N |
| INCHI | 1S/C31H31F3N6O/c1-21(2)28-7-5-24(16-23(28)4-6-27-18-36-29-19-35-8-9-40(27)29)30(41)37-26-15-22(14-25(17-26)31(32,33)34)20-39-12-10-38(3)11-13-39/h5,7-9,14-19,21H,10-13,20H2,1-3H3,(H,37,41) |
| Isomeric SMILES | CC(C)C1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)CN3CCN(CC3)C)C#CC4=CN=C5N4C=CN=C5 |
| PubChem CID | 134693894 |
| Molecular Weight | 560.60 |
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 Anilides
- Level5 Aromatic anilides
- Level6 Benzanilides
- Level5 Aromatic anilides
- Subclass Anilides
- Class Benzene and substituted derivatives
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Aromatic anilides |
| Direct Parent | Benzanilides |
| Alternative Parents | Trifluoromethylbenzenes Bicyclic monoterpenoids Aromatic monoterpenoids Phenylpropanes Imidazopyrazines Cumenes Benzamides Phenylmethylamines Benzylamines Benzoyl derivatives N-methylpiperazines Aralkylamines Pyrazines N-substituted imidazoles Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzanilide - Trifluoromethylbenzene - Monoterpenoid - Bicyclic monoterpenoid - Aromatic monoterpenoid - P-cymene - Imidazopyrazine - Phenylpropane - Cumene - Benzoic acid or derivatives - Benzamide - Phenylmethylamine - Benzylamine - Benzoyl - Aralkylamine - N-alkylpiperazine - N-methylpiperazine - Pyrazine - Piperazine - N-substituted imidazole - 1,4-diazinane - Heteroaromatic compound - Imidazole - Azole - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Associated Targets(Human)
EPHA2 Tclin Ephrin type-A receptor 2 (1 Activities)
EPHA8 Tchem Ephrin type-A receptor 8 (1 Activities)
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DDR2 Tchem Discoidin domain-containing receptor 2 (4 Activities)
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DDR1 Tchem Epithelial discoidin domain-containing receptor 1 (4 Activities)
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STK10 Tchem Serine/threonine-protein kinase 10 (2 Activities)
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EPHA7 Tchem Ephrin type-A receptor 7 (1 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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EPHB2 Tchem Ephrin type-B receptor 2 (1 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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TEK Tclin Angiopoietin-1 receptor (1 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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LCK Tclin Tyrosine-protein kinase Lck (1 Activities)
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ABL1 Tclin Tyrosine-protein kinase ABL1 (1 Activities)
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NTRK2 Tclin BDNF/NT-3 growth factors receptor (2 Activities)
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NTRK1 Tclin High affinity nerve growth factor receptor (1 Activities)
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NTRK3 Tclin NT-3 growth factor receptor (3 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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LCK Tclin Tyrosine-protein kinase LCK (9212 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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EPHB2 Tchem Ephrin type-B receptor 2 (1899 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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NTRK1 Tclin Nerve growth factor receptor Trk-A (7922 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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TEK Tclin Tyrosine-protein kinase TIE-2 (3348 Activities)
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STK10 Tchem Serine/threonine-protein kinase 10 (2119 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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EPHA2 Tclin Ephrin type-A receptor 2 (3499 Activities)
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EPHA8 Tchem Ephrin type-A receptor 8 (790 Activities)
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EPHA7 Tchem Ephrin type-A receptor 7 (1002 Activities)
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NTRK2 Tclin Neurotrophic tyrosine kinase receptor type 2 (3279 Activities)
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DDR1 Tchem Epithelial discoidin domain-containing receptor 1 (1050 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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NTRK3 Tclin NT-3 growth factor receptor (2338 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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DDR2 Tchem Discoidin domain-containing receptor 2 (2199 Activities)
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Associated Targets(non-human)
Mus musculus (284745 Activities)
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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:
Solution Calculators
Reviews
Customer Reviews
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