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Basic Description
| Synonyms | UNII-83J17CN0MN | PASINIAZID [INN] | IDI1_000327 | NCGC00024460-02 | Pharmakon1600-01503381 | AKOS026749897 | NCGC00021150-02 | NCGC00024460-03 | Isonicotinic acid hydrazide, mono(4-aminosalicylate) | SCHEMBL865578 | BSPBio_002450 | 4-amino-2-hydroxy-benz |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
Product Describtion: Pasiniazid is an anti-TB and anti-leprosy drug, used to treat various types of TB and leprosy. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Hydroxybenzoic acid derivatives - Salicylic acid and derivatives - Aminosalicylic acids and derivatives |
| Direct Parent | Aminosalicylic acids |
| Alternative Parents | 4-aminosalicylic acids Salicylic acids Aminobenzoic acids Pyridinecarboxylic acids and derivatives Benzoic acids m-Aminophenols Aniline and substituted anilines Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Heteroaromatic compounds Carboxylic acid hydrazides Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organooxygen compounds Organopnictogen compounds Primary amines |
| Molecular Framework | Not available |
| Substituents | 4-aminosalicylic acid - Aminosalicylic acid - Aminobenzoic acid - Aminobenzoic acid or derivatives - Salicylic acid - Benzoic acid - Pyridine carboxylic acid or derivatives - M-aminophenol - Aminophenol - Benzoyl - Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyridine - Heteroaromatic compound - Vinylogous acid - Amino acid or derivatives - Amino acid - Carboxylic acid hydrazide - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Primary amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminosalicylic acids. These are salicylic acids carrying an amino group on the benzene ring. |
| External Descriptors | Not available |
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Associated Targets(Human)
ALDH1A1
Tchem
Aldehyde dehydrogenase 1A1 (77053 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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TDP1
Tchem
Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
KDM4E
Tchem
Lysine-specific demethylase 4D-like (40243 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
Mapt
Microtubule-associated protein tau (6 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | 4-amino-2-hydroxybenzoic acid;pyridine-4-carbohydrazide |
|---|---|
| INCHI | InChI=1S/C7H7NO3.C6H7N3O/c8-4-1-2-5(7(10)11)6(9)3-4;7-9-6(10)5-1-3-8-4-2-5/h1-3,9H,8H2,(H,10,11);1-4H,7H2,(H,9,10) |
| InChIKey | RKPHTRVPGYGVQD-UHFFFAOYSA-N |
| Smiles | C1=CC(=C(C=C1N)O)C(=O)O.C1=CN=CC=C1C(=O)NN |
| Isomeric SMILES | C1=CC(=C(C=C1N)O)C(=O)O.C1=CN=CC=C1C(=O)NN |
| PubChem CID | 16367 |
| Molecular Weight | 290.27 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 290.270 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 290.102 Da |
| Monoisotopic Mass | 290.102 Da |
| Topological Polar Surface Area | 152.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 280.000 |
| 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 | 2 |
Solution Calculators
Reviews
Customer Reviews
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