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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items GSK 2250665A - ≥97%(HPLC) , CAS No.1246030-96-5
Synonyms
trans-4-[[4-[(6-Ethyl-2-benzothiazolyl)amino]-6-(phenylmethyl)-2-pyrimidinyl]amino]cyclohexanol
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Why this grade ≥97%(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
trans-4-[[4-[(6-Ethyl-2-benzothiazolyl)amino]-6-(phenylmethyl)-2-pyrimidinyl]amino]cyclohexanol
Especificaciones y pureza
≥97%(HPLC)
Mecanismos bioquímicos y fisiológicos
Itk inhibitor (pKi= 9.2). Exhibits selectivity for Itk over Aurora B kinase and Btk (pIC50values are 6.4 and 6.5, respectively) and a panel of other kinases. Inhibits IFNγ production in PBMCs.
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 CCC1=CC2=C(C=C1)N=C(S2)NC3=NC(=NC(=C3)CC4=CC=CC=C4)NC5CCC(CC5)O IUPAC Name 4-[[4-benzyl-6-[(6-ethyl-1,3-benzothiazol-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol InChIKey DPRNXTSMYVCYLJ-UHFFFAOYSA-N INCHI 1S/C26H29N5OS/c1-2-17-8-13-22-23(15-17)33-26(29-22)31-24-16-20(14-18-6-4-3-5-7-18)28-25(30-24)27-19-9-11-21(32)12-10-19/h3-8,13,15-16,19,21,32H,2,9-12,14H2,1H3,(H2,27,28,29,30,31) Isómeros SMILES CCC1=CC2=C(C=C1)N=C(S2)NC3=NC(=NC(=C3)CC4=CC=CC=C4)NC5CCC(CC5)O Peso molecular 459.61 Reaxy-Rn 52303815 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=52303815&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 Benzothiazoles Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzothiazoles Alternative Parents Secondary alkylarylamines Cyclohexanols Aminopyrimidines and derivatives Imidolactams Benzene and substituted derivatives 2-amino-1,3-thiazoles Heteroaromatic compounds Cyclic alcohols and derivatives Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents 1,3-benzothiazole - Secondary aliphatic/aromatic amine - Cyclohexanol - Aminopyrimidine - 1,3-thiazol-2-amine - Imidolactam - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Cyclic alcohol - Azole - Secondary alcohol - Azacycle - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). 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: 45.96, Max Conc. mM: 100; Solvent:1eq. HCl, Max Conc. mg/mL: 9.19, Max Conc. mM: 20 Peso molecular 459.600 g/mol XLogP3 6.600 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 7 Exact Mass 459.209 Da Monoisotopic Mass 459.209 Da Topological Polar Surface Area 111.000 Ų Heavy Atom Count 33 Formal Charge 0 Complexity 597.000 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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