Tepoxalin - ≥98% , CAS No.103475-41-8

CAS: 103475-41-8 Cat. No.: T348374 分子式: C₂₀H₂₀ClN₃O₃ 分子量: 385.84 EC番号: 638-877-2 PubChem CID: 59757

GRADE & PURITY ≥98%

Synonyms

5-(p-Chlorophenyl)-1-(p-methoxyphenyl)-N-methylpyrazole-3-propionohydroxamic acid | TEPOXALIN [EMA EPAR VETERINARY] | CAS-103475-41-8 | C18362 | SR-01000944187-1 | Tepoxalin (USAN/INN) | BCP23064 | UNII-TZ4OX61974 | Zubrin Rapidly-Disintegrating Tablets |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Tepoxalin is a dual inhibitor of COX and 5-lipoxygenase (5-LO) with potent anti-inflammatory activity and a favorable gastrointestinal profile.

Specifications

同義語

5-(p-Chlorophenyl)-1-(p-methoxyphenyl)-N-methylpyrazole-3-propionohydroxamic acid | TEPOXALIN [EMA EPAR VETERINARY] | CAS-103475-41-8 | C18362 | SR-01000944187-1 | Tepoxalin (USAN/INN) | BCP23064 | UNII-TZ4OX61974 | Zubrin Rapidly-Disintegrating Tablets |

仕様と純度

≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• パブケム・シド: 528772065
• カノニカル・スマイル: CN(C(=O)CCC1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC)O
• IUPAC Name: 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpropanamide
• InChIKey: XYKWNRUXCOIMFZ-UHFFFAOYSA-N
• INCHI: 1S/C20H20ClN3O3/c1-23(26)20(25)12-7-16-13-19(14-3-5-15(21)6-4-14)24(22-16)17-8-10-18(27-2)11-9-17/h3-6,8-11,13,26H,7,12H2,1-2H3
• 異性体SMILES: CN(C(=O)CCC1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC)O
• PubChem CID: 59757
• 分子量: 385.84

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Hydroxamic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Hydroxamic acid - Carboxylic acid derivative - Azacycle - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
• External Descriptors: pyrazoles - aromatic ether - monochlorobenzenes - hydroxamic 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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO: 60 mg/ml (155.5 mM)
• 融点（°C）: 123-125° C
• 分子量: 385.800 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 385.119 Da
• Monoisotopic Mass: 385.119 Da
• Topological Polar Surface Area: 67.600 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 479.000
• 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