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· · COA & SDS すべての製品に適用 · 在庫品は当日出荷 CL-417513 - 10mM in DMSO , CAS No.313986-65-1
GRADE & PURITY 10mM in DMSO
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.
概要 inhibitors of the PAR-2 signaling pathway; 11β-HSD1 inhibitor; PAR inhibitor.
Specifications 入荷
Dry ice packs + Cold packs
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製品の性質 ALogP 4.144 hba_count 4 回転可能な結合 4
名前と識別子 カノニカル・スマイル C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=CC=C5)C(F)(F)F IUPAC Name phenyl-[4-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone InChIKey ZUPGHKKHKOINAJ-UHFFFAOYSA-N INCHI 1S/C25H20F3N5O2/c26-25(27,28)21-15-19(17-7-3-1-4-8-17)29-22-16-20(30-33(21)22)24(35)32-13-11-31(12-14-32)23(34)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2 異性体SMILES C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=CC=C5)C(F)(F)F 分子量 479.45 Reaxy-Rn 28363985 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28363985&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 Organoheterocyclic compounds 分類 Diazines Subclass Pyrimidines and pyrimidine derivatives Intermediate Tree Nodes Not available Direct Parent Phenylpyrimidines Alternative Parents Pyrazolo[1,5-a]pyrimidines Benzamides 2-heteroaryl carboxamides Pyrazole-5-carboxamides Benzoyl derivatives Piperazines Heteroaromatic compounds Tertiary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Organopnictogen compounds Alkyl fluorides Organooxygen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents 4-phenylpyrimidine - 5-phenylpyrimidine - Pyrazolopyrimidine - Benzoic acid or derivatives - Pyrazolo[1,5-a]pyrimidine - Benzamide - Pyrazole-5-carboxamide - Benzoyl - 2-heteroaryl carboxamide - 1,4-diazinane - Benzenoid - Piperazine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Azole - Pyrazole - Carboxamide group - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organooxygen compound - Aromatic heteropolycyclic compound 説明 This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. 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 DMSO（mM） 最大溶解度 10 分子量 479.500 g/mol XLogP3 3.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 3 Exact Mass 479.157 Da Monoisotopic Mass 479.157 Da Topological Polar Surface Area 70.800 Ų Heavy Atom Count 35 Formal Charge 0 Complexity 761.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 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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