SEMBL - ≥97% , CAS No.1443448-82-5

CAS: 1443448-82-5 Cat. No.: S646776 分子式: C₁₂H₁₁NO₄ 分子量: 233.22 PubChem CID: 137647276

GRADE & PURITY ≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

SEMBL is a potent NF-κB inhibitor. SEMBL can inhibit NF-κB-DNA binding, and also inhibits NF-κB-dependent inflammatory cytokine secretions. SEMBL inhibits cancer cell migration and invasion via decreasing MMP expression. SEMBL can be used for researching anticancer

In Vitro

SEMBL inhibits MMP-2 expression and cellular metastatic activity in ovarian carcinoma cells. SEMBL inhibits the cell-free DNA binding of NF-κB in the ES-2 nuclear extract and inhibits the constitutively activated NF-κB activity in ovarian carcinoma cells. SEMBL inhibits cellular migration, invasion and MMP-2 expression in ovarian carcinoma cells at non-toxic concentrations. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:NF-κB, MMP-2

Specifications

仕様と純度

≥97%

生化学的・生理学的メカニズム

SEMBL is a potent NF-κB inhibitor. SEMBL can inhibit NF-κB-DNA binding, and also inhibits NF-κB-dependent inflammatory cytokine secretions. SEMBL inhibits cancer cell migration and invasion via decreasing MMP expression. SEMBL can be used for researching

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

≥97%

名前と識別子

• カノニカル・スマイル: C=C1C(COC1=O)NC(=O)C2=CC=CC=C2O
• IUPAC Name: 2-hydroxy-N-[(3S)-4-methylidene-5-oxooxolan-3-yl]benzamide
• InChIKey: SBEBFCLNXGMFOQ-SECBINFHSA-N
• INCHI: 1S/C12H11NO4/c1-7-9(6-17-12(7)16)13-11(15)8-4-2-3-5-10(8)14/h2-5,9,14H,1,6H2,(H,13,15)/t9-/m1/s1
• 異性体SMILES: C=C1[C@@H](COC1=O)NC(=O)C2=CC=CC=C2O
• PubChem CID: 137647276
• 分子量: 233.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Salicylic acid and derivatives
            • Level7 Salicylamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
• Direct Parent: Salicylamides
• Alternative Parents: Benzamides Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Gamma butyrolactones Vinylogous acids Tetrahydrofurans Enoate esters Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Salicylamide - Benzamide - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - N-acyl-amine - Gamma butyrolactone - Vinylogous acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Lactone - Carboxylic acid ester - Carboxamide group - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as salicylamides. These are carboxamide derivatives of salicylic acid. Salicylic acid is the ortho-hydroxylated derivative of benzoic acid.
• External Descriptors: Not available

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）

RELA Tchem Nuclear factor NF-kappa-B p65 subunit (627 Activities)

Discover Target: RELA

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）

RAW264.7 (28094 Activities)

Explore this target

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 : 100 mg/mL (428.78 mM; Need ultrasonic)
• 分子量: 233.220 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 233.069 Da
• Monoisotopic Mass: 233.069 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 352.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 1443448-82-5, the molecular formula is C12H11NO4, and the molecular weight is 233.22 g/mol. InChIKey SBEBFCLNXGMFOQ-SECBINFHSA-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.