Determine the necessary mass, volume, or concentration for preparing a solution.
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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.
Descripción general
Mps1-IN-2 is a potent, selective and ATP-competitive dual Mps1/Plk1 inhibitor, with an IC 50 and a K d of 145 nM and 12 nM for Mps1 and a K d of 61 nM for Plk1 .
Specifications
Especificaciones y pureza
Moligand™, ≥98%
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Grado
Moligand™
Tipo de acción
INHIBITOR
Pureza
≥98%
Nombres e identificadores
| Sonrisas canónicas | CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(CCC(=O)N4C)C5CCCC5 |
|---|---|
| IUPAC Name | 9-cyclopentyl-2-[2-ethoxy-4-(4-hydroxypiperidin-1-yl)anilino]-5-methyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-6-one |
| InChIKey | WELBJLUKWAJOQV-UHFFFAOYSA-N |
| INCHI | 1S/C26H36N6O3/c1-3-35-23-16-19(31-13-10-20(33)11-14-31)8-9-21(23)28-26-27-17-22-25(29-26)32(18-6-4-5-7-18)15-12-24(34)30(22)2/h8-9,16-18,20,33H,3-7,10-15H2,1-2H3,(H,27,28,29) |
| Isómeros SMILES | CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(CCC(=O)N4C)C5CCCC5 |
| PubChem CID | 44968267 |
| Peso molecular | 480.60 |
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 Organoheterocyclic compounds
- Clase Piperidines
- Subclass Phenylpiperidines
- Clase Piperidines
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Piperidines |
| Subclass | Phenylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperidines |
| Alternative Parents | Pyrimidodiazepines Aminophenyl ethers Phenoxy compounds Aniline and substituted anilines Dialkylarylamines 1,4-diazepines Alkyl aryl ethers Aminopyrimidines and derivatives Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Secondary alcohols Amino acids and derivatives Azacyclic compounds Secondary amines Carbonyl compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpiperidine - Pyrimidodiazepine - Aminophenyl ether - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Dialkylarylamine - Para-diazepine - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Tertiary carboxylic acid amide - Heteroaromatic compound - Secondary alcohol - Tertiary amine - Amino acid or derivatives - Carboxamide group - Lactam - Secondary amine - Azacycle - Ether - Carboxylic acid derivative - Amine - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group. |
| External Descriptors | Not available |
Estructura 3D
Modelo de Estructura Química Interactiva
Objetivos asociados (humanos)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
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CSNK1D Tchem Casein kinase I delta (4546 Activities)
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PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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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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 |
|---|
GAK Tchem Serine/threonine-protein kinase GAK (1150 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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PLK4 Tchem Serine/threonine-protein kinase PLK4 (1882 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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TTK Tchem Dual specificity protein kinase TTK (2978 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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HepG2 (196354 Activities)
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PLK3 Tchem Serine/threonine-protein kinase PLK3 (1916 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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STK33 Tchem Serine/threonine-protein kinase 33 (769 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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HEK-293T (167025 Activities)
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Objetivos asociados (no humanos)
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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rep Replicase polyprotein 1ab (378 Activities)
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Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
| Solubilidad | DMSO : 13.33 mg/mL (27.74 mM; Need ultrasonic) |
|---|---|
| Peso molecular | 480.600 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 480.285 Da |
| Monoisotopic Mass | 480.285 Da |
| Topological Polar Surface Area | 94.100 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 699.000 |
| 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 |
Calculadoras de soluciones
Reseñas
Reseñas de cliente
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View Moligand™ grade guide →Artículos relacionados
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