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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items tirabrutinib - Moligand™ , Tyrosine-protein kinase BTK inhibitor, CAS No.1351636-18-4, Tyrosine-protein kinase BTK inhibitor
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Synonyms
DB15227 | Q27283239 | 6-Amino-9-((3R)-1-(2-butynoyl)-3-pyrrolidinyl)-7-(4-phenoxyphenyl)-7,9-dihydro-8H-purin-8-one | 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one | ONO-4059(Free base) | ONO4059 | ONO-4059 | TIRABRUTINIB [U
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Why this grade Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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
DB15227 | Q27283239 | 6-Amino-9-((3R)-1-(2-butynoyl)-3-pyrrolidinyl)-7-(4-phenoxyphenyl)-7, 9-dihydro-8H-purin-8-one | 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one | ONO-4059(Free base) | ONO4059 | ONO-4059 | TIRABRUTINIB [U
Especificaciones y pureza
Moligand™
Condiciones de almacenamiento de almacenamiento
Room temperature
Mecanismo de acción
Tyrosine-protein kinase BTK inhibitor
Propiedades del producto Nombres e identificadores Sonrisas canónicas CC#CC(=O)N1CCC(C1)N2C3=NC=NC(=C3N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5)N IUPAC Name 6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one InChIKey SEJLPXCPMNSRAM-GOSISDBHSA-N INCHI 1S/C25H22N6O3/c1-2-6-21(32)29-14-13-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19/h3-5,7-12,16,18H,13-15H2,1H3,(H2,26,27,28)/t18-/m1/s1 Isómeros SMILES CC#CC(=O)N1CC[C@H](C1)N2C3=NC=NC(=C3N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5)N PubChem CID 54755438 Peso molecular 454.5
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 Diphenylethers Intermediate Tree Nodes Not available Direct Parent Diphenylethers Alternative Parents Phenylimidazoles Diarylethers Purinones 6-aminopurines Phenoxy compounds Phenol ethers N-acylpyrrolidines Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Ureas Amino acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Diphenylether - 1-phenylimidazole - Diaryl ether - Purinone - 6-aminopurine - Purine - Imidazopyrimidine - Phenoxy compound - Phenol ether - N-acylpyrrolidine - Aminopyrimidine - Imidolactam - Pyrimidine - N-substituted imidazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrolidine - Imidazole - Azole - Urea - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. 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 Peso molecular 454.500 g/mol XLogP3 3.000 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 4 Exact Mass 454.175 Da Monoisotopic Mass 454.175 Da Topological Polar Surface Area 105.000 Ų Heavy Atom Count 34 Formal Charge 0 Complexity 825.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 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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Reconstitution Calculator Reseñas Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
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