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Basic Description
| Synonyms | 2,2'-Iminodibenzoic acid | 579-92-0 | Vanadox | 2,2'-Azanediyldibenzoic acid | Diphenylamine-2,2'-dicarboxylic acid | 2,2'-Dicarboxydiphenylamine | 2,2'-Diphenylaminedicarboxylic acid | 2-(2-carboxyanilino)benzoic acid | 2-[(2-carboxyphenyl)amino]benzoic acid | BENZOIC ACI |
|---|---|
| Specifications & Purity | ≥95% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level5 Aminobenzoic acids and derivatives
- Level6 Aminobenzoic acids
- Level5 Aminobenzoic acids and derivatives
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Aminobenzoic acids and derivatives |
| Direct Parent | Aminobenzoic acids |
| Alternative Parents | Benzoic acids Benzoyl derivatives Aniline and substituted anilines Dicarboxylic acids and derivatives Vinylogous amides Amino acids Secondary amines Carboxylic acids Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminobenzoic acid - Benzoic acid - Benzoyl - Aniline or substituted anilines - Dicarboxylic acid or derivatives - Vinylogous amide - Amino acid or derivatives - Amino acid - Secondary amine - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety. |
| External Descriptors | Not available |
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Associated Targets(Human)
GNAS
Tbio
Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
KDM4A
Tchem
Lysine-specific demethylase 4A (52245 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
EHMT2
Tchem
Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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NS1
Nonstructural protein 1 (33327 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 504752113 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752113 |
| IUPAC Name | 2-(2-carboxyanilino)benzoic acid |
| INCHI | InChI=1S/C14H11NO4/c16-13(17)9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19) |
| InChIKey | ZFRNOTZQUGWMQN-UHFFFAOYSA-N |
| Smiles | C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC=C2C(=O)O |
| Isomeric SMILES | C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC=C2C(=O)O |
| Molecular Weight | 257.24 |
| Reaxy-Rn | 483973 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=483973&ln= |
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.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2117880 |
Certificate of Analysis | Sep 13, 2024 | I171078 |
| K21171048 |
Certificate of Analysis | Sep 13, 2024 | I171078 |
| K2002117 |
Certificate of Analysis | Aug 10, 2023 | I171078 |
Chemical and Physical Properties
| Molecular Weight | 257.240 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 257.069 Da |
| Monoisotopic Mass | 257.069 Da |
| Topological Polar Surface Area | 86.600 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 312.000 |
| 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 |
Solution Calculators
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