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· · COA & SDS disponible pour chaque produit · Expédition le jour même sur les articles en stock DMU2139 - ≥98% , CAS No.104890-70-2
Synonyms
2-Propen-1-one,1-(6-methoxy-2-naphthalenyl)-3-(3-pyridinyl)-
Shipped In
Ice chest + Ice pads
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Why this grade ≥98% 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.
Vue d’ensemble Information
DMU2139 is a potent and specific inhibitor ofCYP1B1with IC50 of 9 nM.
Targets
CYP1B1 (Cell-free assay) 9 nM
Specifications Synonymes
2-Propen-1-one,1-(6-methoxy-2-naphthalenyl)-3-(3-pyridinyl)-
Spécifications et pureté
≥98%
Mécanismes biochimiques et physiologiques
DMU2139 is a potent and specific inhibitor of CYP1B1 with IC50 of 9 nM.
Conditions de stockage de stockage
Store at -20°C
Expédié en
Ice chest + Ice pads
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Propriétés du produit ALogP 3.443 hba_count 3 Liaison rotative 4
Noms et identifiants Pubchem Sid 504767457 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504767457 Sourires canoniques 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+ Isomères SMILES COC1=CC2=C(C=C1)C=C(C=C2)C(=O)/C=C/C3=CN=CC=C3 Poids moléculaire 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 Description 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.
Structure 3D Cibles associées (humaines) Mécanismes d'action Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques Solubilité Solubility (25°C) In vitro DMSO: 58 mg/mL (200.46 mM); Ethanol: 5 mg/mL (17.28 mM); Water: Insoluble; DMSO (mg/mL) Solubilité maximale 58 DMSO (mM) Solubilité maximale 200.463138976255 Eau (mg/mL) Solubilité maximale ＜1 Poids moléculaire 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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