Diclofenac Sodium - Moligand™,≥99% , Cyclooxygenase inhibitor, CAS No.15307-79-6, Cyclooxygenase inhibitor

CAS: 15307-79-6 Cat. No.: D129332 분자식: C₁₄H₁₀Cl₂NNaO₂ 분자량: 318.13 EC 번호: 239-346-4 PubChem CID: 5018304

GRADE & PURITY Moligand™, ≥99%

Synonyms

Abitren | Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, monosodium salt | Rewodina | DICLOFENAC SODIUM [USP-RS] | (o-(2,6-Dichloroanilino)phenyl)acetic acid sodium salt | Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, monosodium salt | Lexobene

Storage

Room temperature

Shipped In

Normal

개요

Diclofenac Sodium is a non-selective COX inhibitor with IC50 of 60 and 220 nM for ovine COX-1 and -2, respectively.
An inhibitor of Cox-1 and Cox-2.

Specifications

동의어

Abitren | Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, monosodium salt | Rewodina | DICLOFENAC SODIUM [USP-RS] | (o-(2,6-Dichloroanilino)phenyl)acetic acid sodium salt | Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, monosodium salt | Lexobene

사양 및 순도

Moligand™, ≥99%

생화학 및 생리적 메커니즘

Diclofenac Sodium is the salt form of diclofenac, an active metabolite of the NSAID aceclofenac. Hydrolysis of aceclofenac, an inhibitor of interleukin-1B-induced prostaglandin E2 production with no inhibitory activity against Cox (cyclooxygenase), genera

애플리케이션

Diclofenac sodium has been utilized in research on the potential of radiation protection · To determine the basic viscosity and fluid dynamic values of the solubilizer and its micellar adduct · As a standard substance for potential titration and fluoresce

보관 조건

Room temperature

배송

Normal

등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

Cyclooxygenase inhibitor

참고

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

순수함

≥99%

이름과 식별자

Pubchem Sid

504763192

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763192

정식 스마일

C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+]

IUPAC Name

sodium;2-[2-(2,6-dichloroanilino)phenyl]acetate

InChIKey

KPHWPUGNDIVLNH-UHFFFAOYSA-M

INCHI

1S/C14H11Cl2NO2.Na/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1

이성체 SMILES

C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+]

WGK 독일

3

RTECS

AG6330000

PubChem CID

5018304

UN 번호

2811

포장 그룹

III

분자량

318.13

Reaxy-Rn

3581138

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aniline and substituted anilines Aryl chlorides Carboxylic acid salts Amino acids Secondary amines Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organochlorides Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - 1,3-dichlorobenzene - Aryl chloride - Aryl halide - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Organic metal halide - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• External Descriptors: organic sodium salt

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)

PTGS1 Tclin Prostaglandin G/H synthase 1 (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PTGS2 Tclin Prostaglandin G/H synthase 2 (6 Activities)

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ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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TRPV1 Tclin Vanilloid receptor (8273 Activities)

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ALB Tchem Serum albumin (2651 Activities)

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GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

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GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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UGT1A4 Tbio UDP-glucuronosyltransferase 1A4 (288 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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Homo sapiens (32628 Activities)

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HT-29 (80576 Activities)

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THP-1 (11052 Activities)

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HEK293 (82097 Activities)

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HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)

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AKR1C3 Tchem Aldo-keto-reductase family 1 member C3 (1414 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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Liver microsomes (16955 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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SNCA Tchem Alpha-synuclein (10960 Activities)

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BLM Tchem Bloom syndrome protein (4248 Activities)

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EYA2 Tbio Eyes absent homolog 2 (5884 Activities)

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GMNN Tbio Geminin (128009 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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MPHOSPH8 Tbio M-phase phosphoprotein 8 (656 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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PTGS2 Tclin Cyclooxygenase (1258 Activities)

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TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

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

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관련 대상(비인간)

Ttr Transthyretin (14 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Meyerozyma guilliermondii (575 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Nakaseomyces glabratus (9108 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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RAW264.7 (28094 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Brain (1 Activities)

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Plasma (328 Activities)

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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

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FTL Ferritin light chain (43324 Activities)

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nfo Endonuclease 4 (425 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

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Dipeptidyl peptidase 3 (24 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water (50 mg/ml), PBS pH 7.2 (6 mg/ml), ethanol (~35 mg/ml), DMF (~35 mg/ml), DMSO (~35 mg/ml), methanol (>24 mg/ml), and acetone (6 mg/ml).
• 녹는점(°C): 283-285°C
• 분자량: 318.100 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 316.999 Da
• Monoisotopic Mass: 316.999 Da
• Topological Polar Surface Area: 52.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 310.000
• 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

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 15307-79-6, the molecular formula is C14H10Cl2NNaO2, and the molecular weight is 318.13 g/mol. InChIKey KPHWPUGNDIVLNH-UHFFFAOYSA-M.

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.