SKPin C1 - 10mM in DMSO , CAS No.432001-69-9

CAS: 432001-69-9 Cat. No.: S423949 Fórmula: C₁₈H₁₃BrN₂O₄S₂ Peso molecular: 465.34 PubChem CID: 5733396

GRADE & PURITY 10mM in DMSO

Synonyms

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

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

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

Sinónimos

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

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

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.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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Nombres e identificadores

Pubchem Sid

528767118

Sonrisas canónicas

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-

Isómeros SMILES

C1=CC(=CN=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Br)OCC(=O)O)/SC2=S

PubChem CID

5733396

Peso molecular

465.34

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 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