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· · COA & SDS すべての製品に適用 · 在庫品は当日出荷 アレスタチン - ≥98% , CAS No.51411-04-2
Synonyms
KBioGR_000484 | BCP28030 | AKOS000143709 | s5803 | 2-{2,4-dioxo-3-azatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaen-3-yl}acetic acid | Alrestatino | FT-0630645 | GCUCIFQCGJIRNT-UHFFFAOYSA-N | KBio2_007065 | SpecPlus_000666 | Spectrum5_001248 | CAS-5
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping 20℃で保存 Ships アイスチェスト＋アイスパッド 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
KBioGR_000484 | BCP28030 | AKOS000143709 | s5803 | 2-{2,4-dioxo-3-azatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaen-3-yl}acetic acid | Alrestatino | FT-0630645 | GCUCIFQCGJIRNT-UHFFFAOYSA-N | KBio2_007065 | SpecPlus_000666 | Spectrum5_001248 | CAS-5
生化学的・生理学的メカニズム
アルドース還元酵素の特異的阻害剤（IC50= 148μM）。ラット血管平滑筋におけるグルコース誘導性アンジオテンシンII産生をin vitroで抑制する。
名前と識別子 パブケム・シド 488179663 パブケム・シド・ウル https://pubchem.ncbi.nlm.nih.gov/substance/488179663 カノニカル・スマイル C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CC(=O)O IUPAC Name 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetic acid InChIKey GCUCIFQCGJIRNT-UHFFFAOYSA-N INCHI 1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17) 異性体SMILES C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CC(=O)O 分子量 255.23 Reaxy-Rn 244370 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=244370&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 Isoquinolines and derivatives Subclass Isoquinolones and derivatives Intermediate Tree Nodes Not available Direct Parent Isoquinolones and derivatives Alternative Parents Naphthalenes Alpha amino acids and derivatives N-substituted carboxylic acid imides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Isoquinolone - Alpha-amino acid or derivatives - Naphthalene - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound 説明 This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety. 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 溶解度 Solvent:DMSO, Max Conc. mg/mL: 25.52, Max Conc. mM: 100 分子量 255.220 g/mol XLogP3 1.700 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 2 Exact Mass 255.053 Da Monoisotopic Mass 255.053 Da Topological Polar Surface Area 74.700 Ų Heavy Atom Count 19 Formal Charge 0 Complexity 403.000 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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