3-Hydroxyanthranilic Acid - Moligand™, ≥97% , CAS No.548-93-6

CAS: 548-93-6 Cat. No.: H157079 Formula: C₇H₇NO₃ Peso molecolare: 153.14 Beilstein Registry Number: 14(3)1463 Numero EC: 208-962-5

GRADE & PURITY Moligand™, ≥97%

Synonyms

CCRIS 4427 | 3-Hydroxy-2-aminobenzoate | 3-Hydroxy-anthranilsaeure [German] | NSC 522891 | 3-HAA, 3-HANA | AI3-52837 | CHEBI:15793 | EN300-98786 | WLN: ZR BQ FVQ | HMS3373P15 | SY030553 | 1u1w | 3-hydroxyantranilic acid | DTXSID40203290 | ACon1_002137 | A

Storage

Room temperature

Shipped In

Normal

Panoramica

3-Hydroxyanthranilic acid is an aminobenzoic acid commonly used as an intermediate in various chemical reactions.

Specifications

Sinonimi

CCRIS 4427 | 3-Hydroxy-2-aminobenzoate | 3-Hydroxy-anthranilsaeure [German] | NSC 522891 | 3-HAA, 3-HANA | AI3-52837 | CHEBI:15793 | EN300-98786 | WLN: ZR BQ FVQ | HMS3373P15 | SY030553 | 1u1w | 3-hydroxyantranilic acid | DTXSID40203290 | ACon1_002137 | A

Specifiche e purezza

Moligand™, ≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Moligand™

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488179486
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179486
• Sorrisi canonici: C1=CC(=C(C(=C1)O)N)C(=O)O
• IUPAC Name: 2-amino-3-hydroxybenzoic acid
• InChIKey: WJXSWCUQABXPFS-UHFFFAOYSA-N
• INCHI: 1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)
• Isomeri SMILES: C1=CC(=C(C(=C1)O)N)C(=O)O
• WGK Germania: 3
• RTECS: DG2625000
• Peso molecolare: 153.14
• Beilstein: 14(3)1463
• Reaxy-Rn: 973356
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=973356&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxybenzoic acid derivatives
• Alternative Parents: Aminobenzoic acids Benzoic acids o-Aminophenols Aniline and substituted anilines Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Vinylogous amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Organooxygen compounds Organopnictogen compounds Primary amines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzoic acid - Aminobenzoic acid or derivatives - Hydroxybenzoic acid - Benzoic acid - O-aminophenol - Aminophenol - Benzoyl - Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous amide - Amino acid or derivatives - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Primary amine - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.
• External Descriptors: monohydroxybenzoic acid - aminobenzoic acid

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.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

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CASP7 Tchem Caspase-7 (3146 Activities)

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PDK1 Tchem Pyruvate dehydrogenase kinase isoform 1 (2021 Activities)

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HEK293 (82097 Activities)

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CD28 Tbio T-cell-specific surface glycoprotein CD28 (1 Activities)

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G6PD Tchem Glucose-6-phosphate 1-dehydrogenase (778 Activities)

Discover Target: G6PD

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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dnaB Replicative DNA helicase (15 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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recA Protein RecA (2211 Activities)

Discover Target: recA

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G6PD-6PGL Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (1761 Activities)

Discover Target: G6PD-6PGL

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Slightly soluble in water; Soluble in Ether,Chloroform,Alcohol
• Punto di fusione (°C): 240°C
• Peso molecolare: 153.140 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 153.043 Da
• Monoisotopic Mass: 153.043 Da
• Topological Polar Surface Area: 83.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 160.000
• 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

Riferimenti

1. Jing Hu, Effiong Kokoette, Caicai Xu, Shitao Huang, Tao Tang, Yiyi Zhang, Muyuan Liu, Yuzhou Huang, Shumiao Yu, Jie Zhu, Marianne Holmer, Xi Xiao.  (2023)  Natural Algaecide Sphingosines Identified in Hybrid Straw Decomposition Driven by White-Rot Fungi.  Advanced Science,  10  (25): (2300569).  [PMID:37400420] [10.1002/advs.202300569]

2. Feifei Hou, Dexin Feng, Mo Xian, Wei Huang.  (2021)  De Novo Biosynthesis and Whole-Cell Catalytic Production of 2-Acetamidophenol in Escherichia coli.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:34965133] [10.1021/acs.jafc.1c06910]

3. Xinrong Jiang, Xiaoming Chen, Tao Wang, Yuexin Li, Aiwu Pan, Jianmin Wu.  (2020)  Perfluorinated polymer modified vertical silicon nanowires as ultra low noise laser desorption ionization substrate for salivary metabolites profiling.  TALANTA,      [PMID:33592752] [10.1016/j.talanta.2020.122022]

4. 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]

5. 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]

6. Chuzheng Pan, Feng Chen, Yan Yan, Haiwen Li, Chengfeng Qiu.  (2025)  Tryptophan metabolites as biomarkers to predict the severity and prognosis of acute ischemic stroke patients.  Journal of Stroke & Cerebrovascular Diseases,      [PMID:40553901] [10.1016/j.jstrokecerebrovasdis.2025.108382]

7. Feng Chen, Xiaoxia Yang, Yayun Tan, Huanhuan Li, Yan Yan, Xiang Zhao, Chengfeng Qiu.  (2025)  Targeted LC-MS/MS metabolomics reveals distinctive tryptophan pathway signatures in pneumocystis jirovecii pneumonia.  CLINICA CHIMICA ACTA,      [PMID:41232641] [10.1016/j.cca.2025.120716]

8. 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]

9. Kai Li, Dongsheng Sun, Dongyang Zhang, Yang Liu, Xinli Li.  (2026)  High-titer nicotinamide adenine dinucleotide production via artificially designed pseudo-de novo biosynthesis pathway.  BIORESOURCE TECHNOLOGY,      [PMID:41916456] [10.1016/j.biortech.2026.134529]

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 548-93-6, the molecular formula is C7H7NO3, and the molecular weight is 153.14 g/mol. InChIKey WJXSWCUQABXPFS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.