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· · COA & SDS すべての製品に適用 · 在庫品は当日出荷 DMU2105 - 10mM in DMSO , CAS No.1031063-36-1
GRADE & PURITY 10mM in DMSO
Synonyms
2-Propen-1-one,3-(2-naphthalenyl)-1-(3-pyridinyl)-
Storage
Protected from light,Store at -80°C
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 Protected from light,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.
概要 Information
DMU2105 is a potent and specific inhibitor ofCYP1B1with IC50 of 10 nM.
Targets
CYP1B1 (Cell-free assay) 10 nM
Specifications 同義語
2-Propen-1-one,3-(2-naphthalenyl)-1-(3-pyridinyl)-
生化学的・生理学的メカニズム
DMU2105 is a potent and specific inhibitor of CYP1B1 with IC50 of 10 nM.
保管条件
Protected from light,Store at -80°C
入荷
Dry ice packs + Cold packs
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
製品の性質 ALogP 3.459 hba_count 2 回転可能な結合 3
名前と識別子 カノニカル・スマイル 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+ 異性体SMILES C1=CC=C2C=C(C=CC2=C1)/C=C/C(=O)C3=CN=CC=C3 分子量 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 分類 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 説明 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.
3 D構造 関連ターゲット（人間） 関連ターゲット（非人間） 作用メカニズム 証明書（CoA、COO、BSE/TSEと分析図） 化学的性質と物理的性質 感度 light sensitive DMSO（mg / mL） 最大溶解度 25 DMSO（mM） 最大溶解度 96.4134207481681 水（mg / mL） 最大溶解度 ＜1 分子量 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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