Tenoxicam - 10mM in DMSO , CAS No.59804-37-4

CAS: 59804-37-4 Cat. No.: T424976 분자식: C₁₃H₁₁N₃O₄S₂ 분자량: 337.37 EC 번호: 620-500-8 PubChem CID: 54677971

등급 & 순도 10mM in DMSO

Synonyms

tenoxicam|59804-37-4|Mobiflex|Tilcotil|Tenoxicamum|Liman|Tenoxicamum [INN-Latin]|Ro 12-0068|Ro-12-0068|Ro 12-0068/000|4-hydroxy-2-methyl-N-(pyridin-2-yl)-2H-thieno[2,3-e][1,2]thiazine-3-carboxamide 1,1-dioxide|NSC-758397|MLS000069830|DTXSID8045486|CHEBI:3

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Tenoxicam is a good HO. radicals scavenger with an IC50 of 56.7 μM.
A nonsteroidal, anti-inflammatory, analgesic agent.

사양

동의어

tenoxicam | 59804-37-4 | Mobiflex | Tilcotil | Tenoxicamum | Liman | Tenoxicamum [INN-Latin] | Ro 12-0068 | Ro-12-0068 | Ro 12-0068/000 | 4-hydroxy-2-methyl-N-(pyridin-2-yl)-2H-thieno[2,3-e][1,2]thiazine-3-carboxamide 1,1-dioxide | NSC-758397 | MLS000069830 | DTXSID8045486 | CHEBI:3

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

Tenoxicam is a nonsteroidal anti-inflammmatory(NSAID), analgesic agent. Displays antitumor effects

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

Pubchem Sid

528772074

정식 스마일

CN1C(=C(C2=C(S1(=O)=O)C=CS2)O)C(=O)NC3=CC=CC=N3

IUPAC Name

4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide

InChIKey

LZNWYQJJBLGYLT-UHFFFAOYSA-N

INCHI

1S/C13H11N3O4S2/c1-16-10(13(18)15-9-4-2-3-6-14-9)11(17)12-8(5-7-21-12)22(16,19)20/h2-7,17H,1H3,(H,14,15,18)

이성체 SMILES

CN1C(=C(C2=C(S1(=O)=O)C=CS2)O)C(=O)NC3=CC=CC=N3

WGK 독일

2

RTECS

XJ9095060

PubChem CID

54677971

분자량

337.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Thienothiazines N-arylamides Pyridines and derivatives Organosulfonamides Imidolactams 1,2-thiazines Vinylogous acids Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Thienothiazine - N-arylamide - Ortho-thiazine - Pyridine - Imidolactam - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Vinylogous acid - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• External Descriptors: monocarboxylic acid amide - pyridines - heteroaryl hydroxy compound - thienothiazine

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

화학 및 물리적 특성

• 녹는점(°C): 213 °C(dec.)
• 분자량: 337.400 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 337.019 Da
• Monoisotopic Mass: 337.019 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 599.000
• 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