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

CAS: 548-93-6 Cat. No.: H157079 Fórmula: C₇H₇NO₃ Peso molecular: 153.14 Beilstein Registry Number: 14(3)1463 Número CE: 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

Visão geral

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

Specifications

Sinónimos

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

Especificações e pureza

Moligand™, ≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Moligand™

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488179486

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179486

Sorrisos canónicos

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)

SMILES isoméricas

C1=CC(=C(C(=C1)O)N)C(=O)O

WGK Alemanha

3

RTECS

DG2625000

Peso molecular

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
• Descrição: 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

Alvos associados (humanos)

CASP6 Tchem Caspase-6 (1213 Activities)

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CASP9 Tchem Caspase-9 (154 Activities)

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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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Jurkat (10389 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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POLI Tchem DNA polymerase iota (116820 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)

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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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Alvos associados (não humanos)

Mus musculus (284745 Activities)

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RAW264.7 (28094 Activities)

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dnaB Replicative DNA helicase (15 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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Large T antigen (1457 Activities)

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

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recA Protein RecA (2211 Activities)

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

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Slightly soluble in water; Soluble in Ether,Chloroform,Alcohol
• Ponto de fusão (°C): 240°C
• Peso molecular: 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

Perguntas frequentes

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.