Xanthurenic acid - ≥96% , CAS No.59-00-7

CAS: 59-00-7 Cat. No.: X113958 Molecular Weight: 205.17 Beilstein Registry Number: 185954 EC Number: 200-410-1 PubChem CID: 5699
AVAILABLE TO ORDER
GRADE & PURITY ≥96%
Synonyms
BDBM50113313 | Xanthurenate; 8-Hydroxykynurenic acid; 4,8-Dihydroxyquinaldic acid | 4-oxoxanthurenic acid | IDI1_000262 | NSC401570 | NSC-401570 | KBioSS_000733 | NCGC00094846-05 | 4,8-Dihydroxy-2-quinolinecarboxylic acid | 4,8-Dihydroxy-quinoline-2-carbo
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
X113958-250mg
2

$51.90

$77.90
Save $26.00 (33.38%)
1g
X113958-1g
2

$68.90

$103.90
Save $35.00 (33.69%)
5g
X113958-5g
2

$258.90

$388.90
Save $130.00 (33.43%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

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.

📚

Literature proof

Cited in 7 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
BDBM50113313 | Xanthurenate; 8-Hydroxykynurenic acid; 4, 8-Dihydroxyquinaldic acid | 4-oxoxanthurenic acid | IDI1_000262 | NSC401570 | NSC-401570 | KBioSS_000733 | NCGC00094846-05 | 4, 8-Dihydroxy-2-quinolinecarboxylic acid | 4, 8-Dihydroxy-quinoline-2-carbo
Specifications & Purity
≥96%
Biochemical and Physiological Mechanisms
Shown to selectively activate group II mGlu receptors in transfected HEK293 cells at nanomolar concentrations. Attenuates cAMP formation in mouse cortical slices expressing mGlu2and mGlu3receptors.
Storage
Room temperature
Shipped In
Normal
Purity
≥96%
Names and Identifiers
Canonical SmilesC1=CC2=C(C(=C1)O)NC(=CC2=O)C(=O)O
IUPAC Name8-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid
InChIKeyFBZONXHGGPHHIY-UHFFFAOYSA-N
INCHI1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)
Isomeric SMILES C1=CC2=C(C(=C1)O)NC(=CC2=O)C(=O)O
WGK Germany 3
RTECS UZ9275000
PubChem CID 5699
Molecular Weight 205.17
Beilstein 185954
Reaxy-Rn 185954

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

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassQuinolines and derivatives
SubclassQuinoline carboxylic acids
Intermediate Tree Nodes Not available
Direct ParentQuinoline carboxylic acids
Alternative Parents 8-hydroxyquinolines  Hydroxyquinolines  Hydroquinolones  Hydroquinolines  Pyridinecarboxylic acids  1-hydroxy-2-unsubstituted benzenoids  1-hydroxy-4-unsubstituted benzenoids  Vinylogous amides  Heteroaromatic compounds  Azacyclic compounds  Carboxylic acids  Monocarboxylic acids and derivatives  Organooxygen compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Organonitrogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Quinoline-2-carboxylic acid - Dihydroquinolone - Hydroxyquinoline - 8-hydroxyquinoline - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
External Descriptors quinolinemonocarboxylic acid - dihydroxyquinoline
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
PLA2G7 Tchem LDL-associated phospholipase A2 (1338 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SPR Tchem Sepiapterin reductase (2001 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Slc17a1 Renal sodium-dependent phosphate transport protein 1 (33 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Slc17a8 Vesicular glutamate transporter 3 (89 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot NumberCertificate TypeDateItem
H2429089Certificate of AnalysisAug 19, 2024 X113958
H2429288Certificate of AnalysisAug 19, 2024 X113958
H2429289Certificate of AnalysisAug 19, 2024 X113958
H2429290Certificate of AnalysisAug 19, 2024 X113958
H2429291Certificate of AnalysisAug 19, 2024 X113958
H2429292Certificate of AnalysisAug 19, 2024 X113958
L2504042Certificate of AnalysisAug 19, 2024 X113958
H2420286Certificate of AnalysisAug 12, 2024 X113958
Chemical and Physical Properties
SolubilitySolvent:DMSO, Max Conc. mg/mL: 20.52, Max Conc. mM: 100
Melt Point(°C)297-298°C
Molecular Weight205.170 g/mol
XLogP30.900
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass205.038 Da
Monoisotopic Mass205.038 Da
Topological Polar Surface Area86.600 Ų
Heavy Atom Count15
Formal Charge0
Complexity336.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Li Yueyue, Li Jingjie, Shi Yuhuan, Zhou Xuhui, Feng Wanqing, Han Lu, Ma Daqing, Jiang Hong, Yuan Yongfang.  (2022)  Urinary Aromatic Amino Acid Metabolites Associated With Postoperative Emergence Agitation in Paediatric Patients After General Anaesthesia: Urine Metabolomics Study.  Frontiers in Pharmacology,      [PMID:35928271] [10.3389/fphar.2022.932776]
2. Xiaoxu Cheng, Zifeng Pi, Zhong Zheng, Shu Liu, Fengrui Song, Zhiqiang Liu.  (2022)  Combined 16S rRNA gene sequencing and metabolomics to investigate the protective effects of Wu-tou decoction on rheumatoid arthritis in rats.  JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES,      [PMID:35447521] [10.1016/j.jchromb.2022.123249]
3. Xue-Mei Han, Yan-Jie Qin, Ying Zhu, Xin-Lin Zhang, Nan-Xi Wang, Ying Rang, Xue-Jia Zhai, Yong-Ning Lu.  (2019)  Development of an underivatized LC-MS/MS method for quantitation of 14 neurotransmitters in rat hippocampus, plasma and urine: Application to CUMS induced depression rats.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:31288191] [10.1016/j.jpba.2019.06.043]
4. Dezhen Wang, Xinru Wang, Ping Zhang, Yao Wang, Renke Zhang, Jin Yan, Zhiqiang Zhou, Wentao Zhu.  (2016)  The fate of technical-grade chlordane in mice fed a high-fat diet and its roles as a candidate obesogen.  ENVIRONMENTAL POLLUTION,      [PMID:28041837] [10.1016/j.envpol.2016.11.028]
5. Dan-Qian Chen, Gang Cao, Hua Chen, Dan Liu, Wei Su, Xiao-Yong Yu, Nosratola D. Vaziri, Xiu-Hua Liu, Xu Bai, Li Zhang, Ying-Yong Zhao.  (2017)  Gene and protein expressions and metabolomics exhibit activated redox signaling and wnt/β-catenin pathway are associated with metabolite dysfunction in patients with chronic kidney disease.  Redox Biology,      [PMID:28343144] [10.1016/j.redox.2017.03.017]
6. Yao Wang, Wentao Zhu, Jing Qiu, Xinru Wang, Ping Zhang, Jin Yan, Zhiqiang Zhou.  (2015)  Monitoring tryptophan metabolism after exposure to hexaconazole and the enantioselective metabolism of hexaconazole in rat hepatocytes in vitro.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:25863579] [10.1016/j.jhazmat.2015.04.006]
7. Qi Wu, Ziyi Chen, Zong Hou, Zhiqiang Liu, Rong Sun, Shu Liu.  (2026)  Multi-omics Reveals Hepatotoxic Mechanisms and Key Toxic Components of Polygoni Multiflori Radix and Its Processed Products.  PHYTOMEDICINE,      [PMID:41655553] [10.1016/j.phymed.2026.157908]
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