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340,000+ 연구 제품 · Triple ISO certified · COA & SDS 모든 제품에 대한 사용 가능 · 주식 상품에 대한 같은 날 배송 Chelidamic acid hydrate - ≥95% , CAS No.138-60-3
Synonyms
2, 1,4-dihydro-4-oxo- | DS-1684 | UNII-1A59BH8SXE | 2,6-Pyridinedicarboxylic acid, 4-hydroxy- | Chelidamic acid hydrate | DTXSID00160451 | NCGC00015270-03 | 4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid | BBL028110 | 1,4-Dihydro-4-oxopyridine-2,6-dicarb
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal 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.
개요 glutamate analogs as an inhibitor of glutamate decarboxylase.
Specifications 동의어
2, 1,4-dihydro-4-oxo- | DS-1684 | UNII-1A59BH8SXE | 2,6-Pyridinedicarboxylic acid, 4-hydroxy- | Chelidamic acid hydrate | DTXSID00160451 | NCGC00015270-03 | 4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid | BBL028110 | 1,4-Dihydro-4-oxopyridine-2,6-dicarb
생화학 및 생리적 메커니즘
Among the most potent of the tested "conformationally restricted glutamate analogs" as an inhibitor of glutamate decarboxylase
이름과 식별자 Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488180874
정식 스마일
C1=C(NC(=CC1=O)C(=O)O)C(=O)O
IUPAC Name
4-oxo-1H-pyridine-2,6-dicarboxylic acid
InChIKey
XTLJJHGQACAZMS-UHFFFAOYSA-N
INCHI
1S/C7H5NO5/c9-3-1-4(6(10)11)8-5(2-3)7(12)13/h1-2H,(H,8,9)(H,10,11)(H,12,13)
이성체 SMILES
C1=C(NC(=CC1=O)C(=O)O)C(=O)O
분자량
183.12 (anhydrous basis)
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=476229&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 분류 Pyridines and derivatives Subclass Pyridinecarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Pyridinecarboxylic acids Alternative Parents Dihydropyridinecarboxylic acids and derivatives Dicarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Cyclic ketones Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid - Dihydropyridine - Dicarboxylic acid or derivatives - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - Carboxylic acid - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound 설명 This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid 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.
3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 녹는점(°C) 267 °C 분자량 183.120 g/mol XLogP3 -0.400 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 2 Exact Mass 183.017 Da Monoisotopic Mass 183.017 Da Topological Polar Surface Area 104.000 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 320.000 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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