Nepafenac - Moligand™, ≥99% , Cyclooxygenase inhibitor, CAS No.78281-72-8, Cyclooxygenase inhibitor

CAS: 78281-72-8 Cat. No.: N127367 分子式: C₁₅H₁₄N₂O₂ 分子量: 254.28 EC番号: 682-241-7

グレード＆純度 Moligand™, ≥99%

Synonyms

2-[2-amino-3-(benzoyl)phenyl]acetamide | DB06802 | Nevanac | S01BC10 | 3-Pyridinecarboxylic acid,2,5,6-tetrahydro-1-methyl- | NEPAFENAC (MART.) | Nepafenac [USAN] | EINECS 249-850-6 | Nepafenac (JAN/USAN/INN) | MFCD00020384 | NSC403248 | STL451069 | FT-06

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

An analgesic selective inhibitor of COX-2

仕様

同義語

2-[2-amino-3-(benzoyl)phenyl]acetamide | DB06802 | Nevanac | S01BC10 | 3-Pyridinecarboxylic acid,2,5,6-tetrahydro-1-methyl- | NEPAFENAC (MART.) | Nepafenac [USAN] | EINECS 249-850-6 | Nepafenac (JAN/USAN/INN) | MFCD00020384 | NSC403248 | STL451069 | FT-06

仕様と純度

Moligand™, ≥99%

生化学的・生理学的メカニズム

Nepafenac is a NSAID (nonsteroidal anti inflammatory drug) that is routinely used in opthamology to control pain following cataract surgery. Nepafenac is a selective COX-2 inhibitor. Nepafenac is prodrug of Amfenac.

保管条件

Store at 2-8°C

入荷

Wet ice

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。

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

Cyclooxygenase inhibitor

純度

≥99%

製品の性質

ALogP

1.9

名前と識別子

パブケム・シド

504757346

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504757346

カノニカル・スマイル

C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2N)CC(=O)N

IUPAC Name

2-(2-amino-3-benzoylphenyl)acetamide

InChIKey

QEFAQIPZVLVERP-UHFFFAOYSA-N

INCHI

1S/C15H14N2O2/c16-13(18)9-11-7-4-8-12(14(11)17)15(19)10-5-2-1-3-6-10/h1-8H,9,17H2,(H2,16,18)

異性体SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2N)CC(=O)N

WGKドイツ

3

分子量

254.28

Reaxy-Rn

4256257

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4256257&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Phenylacetamides Benzoyl derivatives Aniline and substituted anilines Vinylogous amides Primary carboxylic acid amides Amino acids and derivatives Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Phenylacetamide - Benzoyl - Aniline or substituted anilines - Aryl ketone - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Ketone - Carboxylic acid derivative - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• External Descriptors: monocarboxylic acid amide

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

関連ターゲット（人間）

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

PTGS2 Tclin Cyclooxygenase (1258 Activities)

Discover Target: PTGS2

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

関連ターゲット（非人間）

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Rattus norvegicus (775804 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO 51 mg/mL Water <1 mg/mL Ethanol 4 mg/mL
• 感度: Heat sensitive
• 融点（°C）: 184 °C
• 分子量: 254.280 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 254.106 Da
• Monoisotopic Mass: 254.106 Da
• Topological Polar Surface Area: 86.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 337.000
• 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

よくある質問

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.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 78281-72-8, the molecular formula is C15H14N2O2, and the molecular weight is 254.28 g/mol. InChIKey QEFAQIPZVLVERP-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.