GW4869 - ≥97% , CAS No.6823-69-4

CAS: 6823-69-4 Cat. No.: G340097 分子式: C₃₀H₃₀Cl₂N₆O₂ 分子量: 577.50 PubChem CID: 16078967

GRADE & PURITY ≥97%

Synonyms

GW4869 also known as N-SMase Inhibitor | GW-4869 | GW 4869 | Sphingomyelinase | Inhibitor GW4869 | 4',4''-Di-2-imidazolin-2-yl-p-benzenediacrylanilide dihydrochloride

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

概要

GW4869  is a cell permeable, selective inhibitor of N-SMase (neutral sphingomyelinase). GW4869 functions as an inhibitor, via a non-competitve manner. N-SMases are important in the metabolism of sphingomyelin producing ceramide and phosphocholine, which are important in cell signaling and regulation. Studies indicate that GW4869 can inhibit the activation of N-SMase by TNF-α in MC7 cells. As a result of this inhibition cell death and growth suppression are inhibited. Although GW4869 does not effect polymorphonuclear neutrophil (PMN) motility, it is useful with formylmethionylleucylphenylanaline (FMLP), since it inhibits PMN aggregation towards the chemotaxin.

Specifications

同義語

GW4869 also known as N-SMase Inhibitor | GW-4869 | GW 4869 | Sphingomyelinase | Inhibitor GW4869 | 4',4''-Di-2-imidazolin-2-yl-p-benzenediacrylanilide dihydrochloride

仕様と純度

≥97%

保管条件

Store at 2-8°C,Desiccated

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。

アクションタイプ

INHIBITOR

純度

≥97%

名前と識別子

パブケム・シド

488199033

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488199033

カノニカル・スマイル

C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)C=CC(=O)NC4=CC=C(C=C4)C5=NCCN5.Cl.Cl

IUPAC Name

(E)-3-[4-[(E)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-3-oxoprop-1-enyl]phenyl]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]prop-2-enamide;dihydrochloride

InChIKey

NSFKAZDTKIKLKT-CLEIDKRQSA-N

INCHI

1S/C30H28N6O2.2ClH/c37-27(35-25-11-7-23(8-12-25)29-31-17-18-32-29)15-5-21-1-2-22(4-3-21)6-16-28(38)36-26-13-9-24(10-14-26)30-33-19-20-34-30;;/h1-16H,17-20H2,(H,31,32)(H,33,34)(H,35,37)(H,36,38);2*1H/b15-5+,16-6+;;

異性体SMILES

C1NC(=NC1)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)/C=C/C(=O)NC4=CC=C(C=C4)C5=NCCN5.Cl.Cl

PubChem CID

16078967

分子量

577.50

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Cinnamic acids and derivatives
      • Subclass Cinnamic acid amides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Cinnamic acids and derivatives
• Subclass: Cinnamic acid amides
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acid amides
• Alternative Parents: Anilides Styrenes N-arylamides Imidolactams Imidazolines Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Cinnamic acid amide - Anilide - Styrene - N-arylamide - Monocyclic benzene moiety - Imidolactam - Benzenoid - 2-imidazoline - Carboxamide group - Secondary carboxylic acid amide - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Azacycle - Carboximidamide - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrochloride - Carbonyl group - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic 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

化学的性質と物理的性質

• 溶解度: Soluble in DMSO (~0.2 mg/ml).
• 感度: Moisture sensitive
• 融点（°C）: >300° C
• 分子量: 577.500 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 576.181 Da
• Monoisotopic Mass: 576.181 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 856.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 3

XLogP3

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 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 6823-69-4, the molecular formula is C30H30Cl2N6O2, and the molecular weight is 577.50 g/mol. InChIKey NSFKAZDTKIKLKT-CLEIDKRQSA-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.