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· · COA & SDS すべての製品に適用 · 在庫品は当日出荷 donitriptan - Moligand™ , G protein-coupled receptor 44 antagonist, CAS No.170912-52-4, G protein-coupled receptor 44 antagonist
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Synonyms
BENZONITRILE,4-[4-[2-[[3-(2-AMINOETHYL)-1H-INDOL-5-YL]OXY]ACETYL]-1-PIPERAZINYL]- | HY-106157 | DONITRIPTAN [WHO-DD] | 1-(((3-(2-Aminoethyl)indol-5-yl)oxy)acetyl)-4-(p-cyanophenyl)piperazine. | Donitriptan [INN] | L000746 | NCGC00370895-03 | Q19597008 | D
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Why this grade Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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.
Specifications 同義語
BENZONITRILE,4-[4-[2-[[3-(2-AMINOETHYL)-1H-INDOL-5-YL]OXY]ACETYL]-1-PIPERAZINYL]- | HY-106157 | DONITRIPTAN [WHO-DD] | 1-(((3-(2-Aminoethyl)indol-5-yl)oxy)acetyl)-4-(p-cyanophenyl)piperazine. | Donitriptan [INN] | L000746 | NCGC00370895-03 | Q19597008 | D
作用メカニズム
G protein-coupled receptor 44 antagonist
製品の性質 名前と識別子 カノニカル・スマイル C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)COC3=CC4=C(C=C3)NC=C4CCN IUPAC Name 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile InChIKey SOHCKWZVTCTQBG-UHFFFAOYSA-N INCHI 1S/C23H25N5O2/c24-8-7-18-15-26-22-6-5-20(13-21(18)22)30-16-23(29)28-11-9-27(10-12-28)19-3-1-17(14-25)2-4-19/h1-6,13,15,26H,7-12,16,24H2 異性体SMILES C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)COC3=CC4=C(C=C3)NC=C4CCN 代替CAS番号 170912-52-4 PubChem CID 197706 MeSH用語 4-(4-(2-(2-aminoethyl-1H-indol-5-yloxyl)acetyl)piperazinyl-1-yl)benzonitrile;donitriptan;F 11356;F 12640;F-12640;F11356;F12640 分子量 403.5
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 Diazinanes Subclass Piperazines Intermediate Tree Nodes Not available Direct Parent Phenylpiperazines Alternative Parents Tryptamines and derivatives N-arylpiperazines 3-alkylindoles 2-arylethylamines Aniline and substituted anilines Benzonitriles Dialkylarylamines Alkyl aryl ethers Aralkylamines Substituted pyrroles Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Nitriles Hydrocarbon derivatives Monoalkylamines Organic oxides Carbonyl compounds Organopnictogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Phenylpiperazine - N-arylpiperazine - Tryptamine - 3-alkylindole - Indole - Indole or derivatives - Benzonitrile - 2-arylethylamine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Nitrile - Carbonitrile - Ether - Amine - Hydrocarbon derivative - Organic oxide - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary amine - Aromatic heteropolycyclic compound 説明 This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. 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 分子量 403.500 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 6 Exact Mass 403.201 Da Monoisotopic Mass 403.201 Da Topological Polar Surface Area 98.400 Ų Heavy Atom Count 30 Formal Charge 0 Complexity 618.000 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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