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· · COA & SDS Disponível para todos os produtos · Envio no mesmo dia em itens em estoque DMU2139 - 10mM in DMSO , CAS No.104890-70-2
Disponível para encomenda
GRADE & PURITY 10mM in DMSO
Synonyms
2-Propen-1-one,1-(6-methoxy-2-naphthalenyl)-3-(3-pyridinyl)-
Shipped In
Dry ice packs + Cold packs
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Why this grade 10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -80°C Ships Dry ice packs + Cold packs 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.
Visão geral Information
DMU2139 is a potent and specific inhibitor ofCYP1B1with IC50 of 9 nM.
Targets
CYP1B1 (Cell-free assay) 9 nM
Specifications Sinónimos
2-Propen-1-one,1-(6-methoxy-2-naphthalenyl)-3-(3-pyridinyl)-
Especificações e pureza
10mM in DMSO
Mecanismos bioquímicos e fisiológicos
DMU2139 is a potent and specific inhibitor of CYP1B1 with IC50 of 9 nM.
Condições de armazenamento de armazenamento
Store at -80°C
Enviado em
Dry ice packs + Cold packs
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Propriedades do produto ALogP 3.443 hba_count 3 Ligação rotativa 4
Nomes e identificadores Pubchem Sid 528764211 Sorrisos canónicos COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C=CC3=CN=CC=C3 IUPAC Name (E)-1-(6-methoxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one InChIKey MPDPEUALCUWORP-RUDMXATFSA-N INCHI 1S/C19H15NO2/c1-22-18-8-7-15-11-17(6-5-16(15)12-18)19(21)9-4-14-3-2-10-20-13-14/h2-13H,1H3/b9-4+ SMILES isoméricas COC1=CC2=C(C=C1)C=C(C=C2)C(=O)/C=C/C3=CN=CC=C3 Peso molecular 289.33 Reaxy-Rn 35887544 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35887544&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 Benzenoids Classe Naphthalenes Subclass Not available Intermediate Tree Nodes Not available Direct Parent Naphthalenes Alternative Parents Aryl ketones Anisoles Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Enones Acryloyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Naphthalene - Anisole - Aryl ketone - Phenol ether - Alkyl aryl ether - Pyridine - Acryloyl-group - Enone - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Ketone - Ether - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound Descrição This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. 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.
Estrutura 3D Alvos associados (humanos) Mecanismos de ação Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas DMSO (mg/mL) Solubilidade máxima 58 DMSO (mM) Solubilidade máxima 200.463138976255 Água (mg/mL) Solubilidade máxima ＜1 Peso molecular 289.300 g/mol XLogP3 3.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 289.11 Da Monoisotopic Mass 289.11 Da Topological Polar Surface Area 39.200 Ų Heavy Atom Count 22 Formal Charge 0 Complexity 406.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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