Pasiniazid - ≥98% , CAS No.2066-89-9

CAS: 2066-89-9 Cat. No.: P337788 분자식: C₆H₇N₃O · C₇H₇NO₃ 분자량: 290.27 EC 번호: 218-183-2 PubChem CID: 16367

GRADE & PURITY ≥98%

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

Storage

Room temperature

Shipped In

Normal

개요

Product Describtion:

Pasiniazid is an anti-TB and anti-leprosy drug, used to treat various types of TB and leprosy.

Specifications

동의어

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

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 504752751
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752751
• 정식 스마일: C1=CC(=C(C=C1N)O)C(=O)O.C1=CN=CC=C1C(=O)NN
• IUPAC Name: 4-amino-2-hydroxybenzoic acid;pyridine-4-carbohydrazide
• InChIKey: RKPHTRVPGYGVQD-UHFFFAOYSA-N
• 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)
• 이성체 SMILES: C1=CC(=C(C=C1N)O)C(=O)O.C1=CN=CC=C1C(=O)NN
• PubChem CID: 16367
• 분자량: 290.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Salicylic acid and derivatives
            • Level7 Aminosalicylic acids and derivatives
              • Level8 Aminosalicylic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

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

관련 대상(인간)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: ≥ 14.5mg/mL in Ethanol
• 분자량: 290.270 g/mol
• 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

XLogP3

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 2066-89-9, the molecular formula is C6H7N3O · C7H7NO3, and the molecular weight is 290.27 g/mol. InChIKey RKPHTRVPGYGVQD-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.