≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Mps-BAY2a is a monopolar spindle 1 (MPS1) inhibitor with an IC 50 of 1 nM against human MPS1 . Mps-BAY2a induces mitotic aberrations and apoptosis in cancer cells
Form:Solid
IC50& Target:IC 50 : 1 nM (human MPS1), 2.6 nM (rat MPS1), 9 nM (mouse MPS1)
| Canonical Smiles | CC(C)CNC1=NC(=CN2C1=NC=C2C3=CC=C(C=C3)C(=O)NC4CC4)C5=C6C=CC=NC6=CC=C5 |
|---|---|
| IUPAC Name | N-cyclopropyl-4-[8-(2-methylpropylamino)-6-quinolin-5-ylimidazo[1,2-a]pyrazin-3-yl]benzamide |
| InChIKey | MDYKTGNHXNTATG-UHFFFAOYSA-N |
| INCHI | 1S/C29H28N6O/c1-18(2)15-31-27-28-32-16-26(19-8-10-20(11-9-19)29(36)33-21-12-13-21)35(28)17-25(34-27)23-5-3-7-24-22(23)6-4-14-30-24/h3-11,14,16-18,21H,12-13,15H2,1-2H3,(H,31,34)(H,33,36) |
| Isomeric SMILES | CC(C)CNC1=NC(=CN2C1=NC=C2C3=CC=C(C=C3)C(=O)NC4CC4)C5=C6C=CC=NC6=CC=C5 |
| PubChem CID | 57381882 |
| Molecular Weight | 476.57 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | Phenylimidazoles |
| Alternative Parents | Quinolines and derivatives Benzamides Imidazopyrazines Benzoyl derivatives Aminopyrazines Secondary alkylarylamines Pyridines and derivatives Imidolactams N-substituted imidazoles Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 5-phenylimidazole - 4-phenylimidazole - Quinoline - Benzamide - Benzoic acid or derivatives - Imidazopyrazine - Benzoyl - Aminopyrazine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - N-substituted imidazole - Pyrazine - Pyridine - Imidolactam - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Secondary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Solubility | DMSO : 10 mg/mL (20.98 mM; ultrasonic and warming and heat to 80°C) |
|---|---|
| Molecular Weight | 476.600 g/mol |
| XLogP3 | 5.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 476.232 Da |
| Monoisotopic Mass | 476.232 Da |
| Topological Polar Surface Area | 84.200 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 750.000 |
| 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 |
