Clonixin - ≥98%(HPLC) , CAS No.17737-65-4

CAS: 17737-65-4 Cat. No.: C153377 Summenformel: C₁₃H₁₁ClN₂O₂ Molekulargewicht: 262.69 EG-Nummer: 241-730-1

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-[(3-Chloro-2-methylphenyl)amino]nicotinic Acid | 2-(3-Chloro-o-toluidino)nicotinic Acid | 2-[(3-Chloro-2-methylphenyl)amino]-3-pyridinecarboxylic acid, CBA 93626, Chlonixin, Clonixic acid, Clonixin, Clonixine, NSC 335505, Sch 10304

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2-[(3-Chloro-2-methylphenyl)amino]nicotinic Acid | 2-(3-Chloro-o-toluidino)nicotinic Acid | 2-[(3-Chloro-2-methylphenyl)amino]-3-pyridinecarboxylic acid, CBA 93626, Chlonixin, Clonixic acid, Clonixin, Clonixine, NSC 335505, Sch 10304

Spezifikationen & Reinheit

≥98%(HPLC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Pubchem Sid: 488183083
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183083
• Kanonisches Lächeln: CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)C(=O)O
• IUPAC Name: 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
• InChIKey: CLOMYZFHNHFSIQ-UHFFFAOYSA-N
• INCHI: 1S/C13H11ClN2O2/c1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12/h2-7H,1H3,(H,15,16)(H,17,18)
• Isomere SMILES: CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)C(=O)O
• WGK Deutschland: 3
• RTECS: QT0960000
• Molekulargewicht: 262.69
• Reaxy-Rn: 483212
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=483212&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Aniline and substituted anilines Toluenes Aminopyridines and derivatives Chlorobenzenes Aryl chlorides Imidolactams Vinylogous amides Heteroaromatic compounds Amino acids Secondary amines Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organic oxides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Aniline or substituted anilines - Aminopyridine - Chlorobenzene - Toluene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Azacycle - Secondary amine - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
• External Descriptors: organochlorine compound - aminopyridine - pyridinemonocarboxylic 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

Zugehörige Ziele (menschlich)

DHODH Tclin Dihydroorotate dehydrogenase (2737 Activities)

Discover Target: DHODH

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PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

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THP-1 (11052 Activities)

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U-937 (7138 Activities)

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UGT2B7 Tchem UDP-glucuronosyltransferase 2B7 (787 Activities)

Discover Target: UGT2B7

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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UGT1A3 Tbio UDP-glucuronosyltransferase 1-3 (217 Activities)

Discover Target: UGT1A3

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Zugehörige Ziele (nicht menschlich)

Plasmodium falciparum (966862 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Dimethylformamide
• Schmelzpunkt (°C): 242 °C
• Molekulargewicht: 262.690 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 262.051 Da
• Monoisotopic Mass: 262.051 Da
• Topological Polar Surface Area: 62.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 301.000
• 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

Referenzen

1. Kai Ni, Bo Che, Rong Gu, Chunhong Wang, Hongyang Xu, Huiduo Li, Shiyan Cen, Mingzhi Luo, Linhong Deng.  (2024)  BitterDB database analysis plus cell stiffness screening identify flufenamic acid as the most potent TAS2R14-based relaxant of airway smooth muscle cells for therapeutic bronchodilation.  Theranostics,      [PMID:38389834] [10.7150/thno.92492]

2. Yuzhe Wang, Lu sheng, Lin Bu, Huijuan Li, Jianxin Wu, Qing Huang.  (2026)  A novel epidermal mimicking phospholipid vesicle-based permeation assay: EpiPVPA for in vitro permeation evaluation.  INTERNATIONAL JOURNAL OF PHARMACEUTICS,      [PMID:41558553] [10.1016/j.ijpharm.2026.126595]

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. 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 17737-65-4, the molecular formula is C13H11ClN2O2, and the molecular weight is 262.69 g/mol. InChIKey CLOMYZFHNHFSIQ-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.