(5Z,2E)-CU-3 - ≥95% , CAS No.1815598-71-0

CAS: 1815598-71-0 Cat. No.: C650769 Fórmula: C₁₆H₁₂N₂O₄S₃ Peso molecular: 392.47 PubChem CID: 6393804

GRADE & PURITY ≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

(5Z,2E)-CU-3 is a potent and selective inhibitor against the α-isozyme of DGK with an IC 50 value of 0.6 μM, competitively inhibits the affinity of DGKα for ATP with a K m value of 0.48 mM. (5Z,2E)-CU-3 targets the catalytic region, but not the regulatory region of DGKα. (5Z,2E)-CU-3 has antitumoral and proimmunogenic effects, enhances the apoptosis of cancer cells and the activation of T cells

Form:Solid

IC50& Target:IC50: 0.6 μM (DGKα)

Specifications

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

(5Z,2E)-CU-3 is a potent and selective inhibitor against the α-isozyme of DGK with an IC 50 value of 0.6 μM, competitively inhibits the affinity of DGKα for ATP with a K m value of 0.48 mM. (5Z,2E)-CU-3 targets the catalytic region, but not the regulatory

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥95%

Nombres e identificadores

Sonrisas canónicas

C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)C(=CC=CC3=CC=CO3)SC2=S

IUPAC Name

N-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide

InChIKey

YIUMXULORVBWLL-SPGDJUBISA-N

INCHI

1S/C16H12N2O4S3/c19-15-14(10-4-6-12-7-5-11-22-12)24-16(23)18(15)17-25(20,21)13-8-2-1-3-9-13/h1-11,17H/b6-4+,14-10-

Isómeros SMILES

C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C/C=C/C3=CC=CO3)/SC2=S

PubChem CID

6393804

Términos de entrada MeSH

5-(3-(2-furyl)prop-2-enylidene)-3-((phenylsulfonyl)amino)-2-thioxo-1,3-thiazolidin-4-one;CU-3 thiazolidine compound

Peso molecular

392.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Thiazolidinethiones Sulfonohydrazides Hydrazinosulfonyl compounds Heteroaromatic compounds Furans Oxacyclic compounds Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Sulfonohydrazide - Thiazolidinethione - Hydrazinosulfonyl compound - Furan - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiazolidine - Heteroaromatic compound - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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

Objetivos asociados (humanos)

GLA Tclin Alpha-galactosidase A (5444 Activities)

Discover Target: GLA

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PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

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CAPN2 Tchem Calpain 2 (185 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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ALPG Tchem Alkaline phosphatase placental-like (1197 Activities)

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PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

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HeLa (62764 Activities)

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FEN1 Tchem Flap endonuclease 1 (12055 Activities)

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MCL1 Tchem Induced myeloid leukemia cell differentiation protein Mcl-1 (3820 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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POLH Tchem DNA polymerase eta (21678 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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ALPL Tchem Alkaline phosphatase, tissue-nonspecific isozyme (1551 Activities)

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

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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ERG Tbio Transcriptional regulator ERG (5589 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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USP2 Tbio Ubiquitin carboxyl-terminal hydrolase 2 (8818 Activities)

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RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)

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BLM Tchem Bloom syndrome protein (4248 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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EYA2 Tbio Eyes absent homolog 2 (5884 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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TMPRSS15 Tchem Enteropeptidase (772 Activities)

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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ATG4B Tchem Cysteine protease ATG4B (985 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 Activities)

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RAPGEF4 Tchem Rap guanine nucleotide exchange factor 4 (11476 Activities)

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KEAP1 Tclin Kelch-like ECH-associated protein 1 (1736 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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PGK1 Tchem Phosphoglycerate kinase (287 Activities)

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GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

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WRN Tbio Werner syndrome ATP-dependent helicase (8824 Activities)

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Objetivos asociados (no humanos)

PLA2G1B Phospholipase A2 group 1B (227 Activities)

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ampC Beta-lactamase AmpC (62480 Activities)

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tat Human immunodeficiency virus type 1 Tat protein (75 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Iap Intestinal alkaline phosphatase (419 Activities)

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M1AAP Zinc aminopeptidase (902 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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rntA Guanyl-specific ribonuclease T1 (24 Activities)

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TGR Thioredoxin glutathione reductase (28579 Activities)

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Large T antigen (1457 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

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glmU Bifunctional protein glmU (125 Activities)

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TPT1 Likely tRNA 2'-phosphotransferase (19 Activities)

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ORF 73 (309 Activities)

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Phosphoglycerate kinase, glycosomal (2184 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 20 mg/mL (50.96 mM; ultrasonic and warming and heat to 60°C)
• Peso molecular: 392.500 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 391.996 Da
• Monoisotopic Mass: 391.996 Da
• Topological Polar Surface Area: 145.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 691.000
• 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: 1

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% 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 1815598-71-0, the molecular formula is C16H12N2O4S3, and the molecular weight is 392.47 g/mol. InChIKey YIUMXULORVBWLL-SPGDJUBISA-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.