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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items GNE 2861 - ≥98%(HPLC) , CAS No.1394121-05-1
Synonyms
PAK-IN-1 | 1-[2-[1-(2-Amino-4-pyrimidinyl)-2-[(2-methoxyethyl)amino]-1H-benzimidazol-6-yl]ethynyl]cyclohexanol
Shipped In
Ice chest + Ice pads
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Why this grade ≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads 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
PAK-IN-1 | 1-[2-[1-(2-Amino-4-pyrimidinyl)-2-[(2-methoxyethyl)amino]-1H-benzimidazol-6-yl]ethynyl]cyclohexanol
Especificaciones y pureza
≥98%(HPLC)
Mecanismos bioquímicos y fisiológicos
Inhibitor of group II p21 activated kinases (PAK; IC50values are 7.5, 126 and 36 nM for PAK4, PAK5 and PAK6, respectively). Displays selectivity for group II PAK over a panel of 222 kinases. Inhibits tumor cell proliferation, migration and invasion in two
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.
Nombres e identificadores Sonrisas canónicas COCCNC1=NC2=C(N1C3=NC(=NC=C3)N)C=C(C=C2)C#CC4(CCCCC4)O IUPAC Name 1-[2-[3-(2-aminopyrimidin-4-yl)-2-(2-methoxyethylamino)benzimidazol-5-yl]ethynyl]cyclohexan-1-ol InChIKey RZXMIHOUHYSGJO-UHFFFAOYSA-N INCHI 1S/C22H26N6O2/c1-30-14-13-25-21-26-17-6-5-16(7-11-22(29)9-3-2-4-10-22)15-18(17)28(21)19-8-12-24-20(23)27-19/h5-6,8,12,15,29H,2-4,9-10,13-14H2,1H3,(H,25,26)(H2,23,24,27) Isómeros SMILES COCCNC1=NC2=C(N1C3=NC(=NC=C3)N)C=C(C=C2)C#CC4(CCCCC4)O Peso molecular 406.48 Reaxy-Rn 22780187 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22780187&ln=
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 Organoheterocyclic compounds Clase Benzimidazoles Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzimidazoles Alternative Parents Secondary alkylarylamines Cyclohexanols Aminopyrimidines and derivatives Ynones N-substituted imidazoles Benzenoids Aminoimidazoles Tertiary alcohols Heteroaromatic compounds Cyclic alcohols and derivatives Dialkyl ethers Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzimidazole - Aminopyrimidine - Cyclohexanol - Secondary aliphatic/aromatic amine - Aminoimidazole - N-substituted imidazole - Pyrimidine - Benzenoid - Ynone - Azole - Cyclic alcohol - Imidazole - Heteroaromatic compound - Tertiary alcohol - Ether - Dialkyl ether - Azacycle - Secondary amine - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Alcohol - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds). 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: 40.65, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 40.65, Max Conc. mM: 100 Peso molecular 406.500 g/mol XLogP3 2.600 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 7 Exact Mass 406.212 Da Monoisotopic Mass 406.212 Da Topological Polar Surface Area 111.000 Ų Heavy Atom Count 30 Formal Charge 0 Complexity 628.000 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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