SKPin C1 - ≥98%(HPLC) , CAS No.432001-69-9

CAS: 432001-69-9 Cat. No.: S288773 Summenformel: C₁₈H₁₃BrN₂O₄S₂ Molekulargewicht: 465.34 PubChem CID: 5733396

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-[4-Bromo-2-[[4-oxo-3-(3-pyridinylmethyl)-2-thioxo-5-thiazolidinylidene]methyl]phenoxy]acetic acid | Skp2 Inhibitor C1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Product Describtion:

Skp2 Inhibitor C1 (SKPin C1) is a specific small molecule inhibitor of Skp2-mediated p27 degradation, selectively inhibited Skp2-mediated p27 degradation by reducing p27 binding through key compound-receptor contacts. 

Specifications

Synonyme

2-[4-Bromo-2-[[4-oxo-3-(3-pyridinylmethyl)-2-thioxo-5-thiazolidinylidene]methyl]phenoxy]acetic acid | Skp2 Inhibitor C1

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

Inhibitor of Skp2-mediated p27 degradation. Induces p27 accumulation in metastatic melanoma cell lines. Promotes G1/S cell cycle arrest in T47D cells and LNCaP cells; induces G2/M cell cycle arrest in MCF-7 cells.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Pubchem Sid: 504763956
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763956
• Kanonisches Lächeln: C1=CC(=CN=C1)CN2C(=O)C(=CC3=C(C=CC(=C3)Br)OCC(=O)O)SC2=S
• IUPAC Name: 2-[4-bromo-2-[(Z)-[4-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
• InChIKey: IYCJJVVXEHZJHE-CHHVJCJISA-N
• INCHI: 1S/C18H13BrN2O4S2/c19-13-3-4-14(25-10-16(22)23)12(6-13)7-15-17(24)21(18(26)27-15)9-11-2-1-5-20-8-11/h1-8H,9-10H2,(H,22,23)/b15-7-
• Isomere SMILES: C1=CC(=CN=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Br)OCC(=O)O)/SC2=S
• PubChem CID: 5733396
• Molekulargewicht: 465.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Phenoxyacetic acid derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Bromobenzenes Thiazolidinethiones Pyridines and derivatives Aryl bromides Heteroaromatic compounds Cyclic dithiocarbamic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organonitrogen compounds Organosulfur compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Thiazolidinethione - Pyridine - Cyclic dithiocarbamic acid ester - Heteroaromatic compound - Dithiocarbamic acid ester - Thiazolidine - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO: 25 mg/mL (53.72 mM)
• Molekulargewicht: 465.300 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 463.95 Da
• Monoisotopic Mass: 463.95 Da
• Topological Polar Surface Area: 137.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 630.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. 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 432001-69-9, the molecular formula is C??H??BrN?O?S?, and the molecular weight is 465.34 g/mol. InChIKey IYCJJVVXEHZJHE-CHHVJCJISA-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.