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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items TC Mps1 12 - ≥99%(HPLC) , CAS No.1206170-62-8
Synonyms
4-[[4-Amino-5-cyano-6-[(1,1-dimethylethyl)amino]-2-pyridinyl]amino]benzamide
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Why this grade ≥99%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
4-[[4-Amino-5-cyano-6-[(1, 1-dimethylethyl)amino]-2-pyridinyl]amino]benzamide
Especificaciones y pureza
≥99%(HPLC)
Mecanismos bioquímicos y fisiológicos
Potent and selective monopolar spindle 1 (Mps1) inhibitor (IC50= 6.4 nM). Selective for Mps1 over a panel of 95 kinases including JNK. Inhibits A549 lung carcinoma cell proliferation and attenuates A549 cell xenograft growth in mice. Orally active.
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Sonrisas canónicas CC(C)(C)NC1=C(C(=CC(=N1)NC2=CC=C(C=C2)C(=O)N)N)C#N IUPAC Name 4-[[4-amino-6-(tert-butylamino)-5-cyanopyridin-2-yl]amino]benzamide InChIKey XDEFNAWAKYQBQY-UHFFFAOYSA-N INCHI 1S/C17H20N6O/c1-17(2,3)23-16-12(9-18)13(19)8-14(22-16)21-11-6-4-10(5-7-11)15(20)24/h4-8H,1-3H3,(H2,20,24)(H4,19,21,22,23) Isómeros SMILES CC(C)(C)NC1=C(C(=CC(=N1)NC2=CC=C(C=C2)C(=O)N)N)C#N PubChem CID 70682875 Peso molecular 324.38
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 → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Clase Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Benzamides Alternative Parents Benzoyl derivatives Aniline and substituted anilines 3-pyridinecarbonitriles Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Nitriles Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Benzamide - Benzoyl - Aniline or substituted anilines - 3-pyridinecarbonitrile - Aminopyridine - Pyridine - Imidolactam - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Nitrile - Carbonitrile - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxide - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Cyanide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Solvent:DMSO, Max Conc. mg/mL: 32.44, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 6.49, Max Conc. mM: 20 with gentle warming Peso molecular 324.400 g/mol XLogP3 2.500 Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 5 Exact Mass 324.17 Da Monoisotopic Mass 324.17 Da Topological Polar Surface Area 130.000 Ų Heavy Atom Count 24 Formal Charge 0 Complexity 485.000 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
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