NS 398 - Moligand™, ≥98% , Inhibitor of COX-2, CAS No.123653-11-2, Inhibitor of COX-2

Name: NS 398 - Moligand™, ≥98% , Inhibitor of COX-2, CAS No.123653-11-2, Inhibitor of COX-2
Brand: Aladdin Scientific
SKU: N274713
Availability: InStock

CAS: 123653-11-2 Cat. No.: N274713 分子式: C₁₃H₁₈N₂O₅S 分子量: 314.36

COA

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NS 398 - Moligand™, ≥98% CAS No(123653-11-2) by Aladdin Scientific

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注文可能

グレード＆純度 Moligand™ ? ≥98%

Synonyms

NS-398 | Bio2_000472 | CCRIS 8523 | N-(2-(cyclohexyloxy)-4-nitrophenyl)methanesulfonamide | s8433 | C71930 | GTPL8976 | HMS3886L10 | Methanesulfonamide, N-(2-(cyclohexyloxy)-4-nitrophenyl)- | HMS1792P05 | HMS3649O13 | KTDZCOWXCWUPEO-UHFFFAOYSA-N | N-{2-(c

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要仕様名前と識別子ドキュメント詳細データ Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質よくある質問と記事ソリューション計算機レビューよくある質問

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このグレードを選ぶ理由

Moligand™, ≥98% Moligand™ ベースライン干渉を最小限に抑える必要がある、感度の高いクロマトグラフィーおよび分析ワークフロー向け。

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保管・配送

Store at -20°C Ice chest + Ice pads に出荷。正確な仕様については、ロット固有の COA をご確認ください。

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品質書類

SDS、COA、データシート、仕様書をダウンロードできます。ロット固有の COA はロット番号検索で入手可能です。

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文献的裏付け

クロマトグラフィー、有機合成、クロスカップリング反応に関する 0 件の査読済み論文で引用されています。

概要

Store at Room Temperature. The product can be stored for up to 12 months.

仕様

同義語

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

Selective cyclooxygenase-2 inhibitor (IC 50 values are 3.8 and >100 μM for COX-2 and COX-1, respectively). Orally active. Anti-inflammatory, antipyretic, analgesic and non-ulcerogenic in vivo . Induces apoptosis and cell cycle arrest.

ソース

Synthetic

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。

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

Inhibitor of COX-2

注

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. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

純度

≥98%

名前と識別子

パブケム・シド

504750782

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504750782

カノニカル・スマイル

CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2CCCCC2

IUPAC Name

N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide

InChIKey

KTDZCOWXCWUPEO-UHFFFAOYSA-N

INCHI

1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3

異性体SMILES

CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2CCCCC2

代替CAS番号

123653-11-2

MeSH用語

N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide;NS 398;NS-398;NS398

分子量

314.36

Reaxy-Rn

6611485

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6611485&ln=

ドキュメント

📋 安全データシート（SDS）

危険性、取扱い、保管、および規制遵守を網羅した包括的な文書。

<<<<<<< HEAD SDS をダウンロード → ======= SDS をダウンロード → >>>>>>> release248-p3

✅ 分析証明書（COA）

ロット固有の品質データ。ロット番号を入力して、正確な COA を取得してください。

COA を検索 →

📊 データシート

製品仕様と用途のクイックリファレンス概要。

データシートを見る →

🔬 仕様書

このグレードの完全な品質特性と合格基準。

仕様書を見る →

詳細データ

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - 分類 Benzene and substituted derivatives
    - Subclass Nitrobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
分類	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrophenyl ethers
Alternative Parents	Sulfanilides Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Organosulfonamides Organic sulfonamides Aminosulfonyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrophenyl ether - Sulfanilide - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Organic sulfonic acid amide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Ether - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
説明	This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
External Descriptors	C-nitro compound - aromatic ether - sulfonamide
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

3 D構造

Lot Number	Certificate Type	日付	商品
B2225373	Certificate of Analysis	Sep 07, 2026	N274713
B2225391	Certificate of Analysis	Sep 07, 2026	N274713
B2225807	Certificate of Analysis	Sep 07, 2026	N274713
B2225820	Certificate of Analysis	Sep 07, 2026	N274713
B2225821	Certificate of Analysis	Sep 07, 2026	N274713
B2225832	Certificate of Analysis	Sep 07, 2026	N274713

溶解度	Soluble in DMSO to 100 mM；Chloroform (Slightly), methanol (Slightly)
融点（°C）	139 °C
分子量	314.360 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	314.094 Da
Monoisotopic Mass	314.094 Da
Topological Polar Surface Area	110.000 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	450.000
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

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レビュー

よくある質問

What is the purity of this product?

This product is supplied at ≥98% 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 ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 123653-11-2, the molecular formula is C13H18N2O5S, and the molecular weight is 314.36 g/mol. InChIKey KTDZCOWXCWUPEO-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.

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