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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items DMU2105 - ≥98% , CAS No.1031063-36-1
Synonyms
2-Propen-1-one,3-(2-naphthalenyl)-1-(3-pyridinyl)-
Storage
Protected from light,Store at -20°C
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 Protected from light,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.
Descripción general Information
DMU2105 is a potent and specific inhibitor ofCYP1B1with IC50 of 10 nM.
Targets
CYP1B1 (Cell-free assay) 10 nM
Specifications Sinónimos
2-Propen-1-one, 3-(2-naphthalenyl)-1-(3-pyridinyl)-
Especificaciones y pureza
≥98%
Mecanismos bioquímicos y fisiológicos
DMU2105 is a potent and specific inhibitor of CYP1B1 with IC50 of 10 nM.
Condiciones de almacenamiento de almacenamiento
Protected from light, 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.
Propiedades del producto ALogP 3.459 hba_count 2 Enlace rotable 3
Nombres e identificadores Pubchem Sid 504764788 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504764788 Sonrisas canónicas C1=CC=C2C=C(C=CC2=C1)C=CC(=O)C3=CN=CC=C3 IUPAC Name (E)-3-naphthalen-2-yl-1-pyridin-3-ylprop-2-en-1-one InChIKey VWBDGXJRQZDLRV-CSKARUKUSA-N INCHI 1S/C18H13NO/c20-18(17-6-3-11-19-13-17)10-8-14-7-9-15-4-1-2-5-16(15)12-14/h1-13H/b10-8+ Isómeros SMILES C1=CC=C2C=C(C=CC2=C1)/C=C/C(=O)C3=CN=CC=C3 Peso molecular 259.3 Reaxy-Rn 35887540 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35887540&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 Phenylpropanoids and polyketides Clase Cinnamic acids and derivatives Subclass Not available Intermediate Tree Nodes Not available Direct Parent Cinnamic acids and derivatives Alternative Parents Naphthalenes Styrenes Aryl ketones Pyridines and derivatives Heteroaromatic compounds Enones Acryloyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Cinnamic acid or derivatives - Naphthalene - Styrene - Aryl ketone - Pyridine - Benzenoid - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Heteroaromatic compound - Ketone - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid. 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 Solubility (25°C) In vitro DMSO: 25 mg/mL (96.41 mM); Ethanol: 2 mg/mL (7.71 mM); Water: Insoluble; Sensibilidad light sensitive DMSO (mg/ml) Solubilidad máxima 25 DMSO (mM) Solubilidad máxima 96.4134207481681 Agua (mg/ml) Solubilidad máxima ＜1 Peso molecular 259.300 g/mol XLogP3 3.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 3 Exact Mass 259.1 Da Monoisotopic Mass 259.1 Da Topological Polar Surface Area 30.000 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 362.000 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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