TC-E 5003 - ≥95% , CAS No.17328-16-4

CAS: 17328-16-4 Cat. No.: T288605 Fórmula: C₁₆H₁₄Cl₂N₂O₄S Peso molecular: 401.26 PubChem CID: 87052

GRADE & PURITY ≥95%

Synonyms

N,N inverted exclamation mark -[Sulfonylbis(4,1-phenylene)]bis(2-chloroacetamide) | A921688 | 4-(2,2-DICHLOROACETAMIDO)PHENYL SULFONE | AKOS024431411 | N,N'-(Sulfonylbis(4,1-phenylene))bis(2-chloroacetamide) | TC-E 5003 | EINECS 285-652-6 | N,N'-[Sulfonyl

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

N,N inverted exclamation mark -[Sulfonylbis(4,1-phenylene)]bis(2-chloroacetamide) | A921688 | 4-(2,2-DICHLOROACETAMIDO)PHENYL SULFONE | AKOS024431411 | N,N'-(Sulfonylbis(4,1-phenylene))bis(2-chloroacetamide) | TC-E 5003 | EINECS 285-652-6 | N,N'-[Sulfonyl

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

Selective protein arginine methyltransferase 1 (PRMT1) inhibitor (IC50= 1.5μM); exhibits no inhibitory activity against CARM1 and Set7/9 methyltransferases. Inhibits growth of MCF7a breast cancer cells and LNCaP prostate cancer cells. Attenuates androgen-

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504755858
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755858
• Sonrisas canónicas: C1=CC(=CC=C1NC(=O)CCl)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCl
• IUPAC Name: 2-chloro-N-[4-[4-[(2-chloroacetyl)amino]phenyl]sulfonylphenyl]acetamide
• InChIKey: SHRCVZJKZJGIHQ-UHFFFAOYSA-N
• INCHI: 1S/C16H14Cl2N2O4S/c17-9-15(21)19-11-1-5-13(6-2-11)25(23,24)14-7-3-12(4-8-14)20-16(22)10-18/h1-8H,9-10H2,(H,19,21)(H,20,22)
• Isómeros SMILES: C1=CC(=CC=C1NC(=O)CCl)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCl
• PubChem CID: 87052
• Peso molecular: 401.26

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: Benzenesulfonyl compounds N-arylamides Sulfones Chloroacetamides Secondary carboxylic acid amides Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - Anilide - N-arylamide - Sulfone - Chloroacetamide - Sulfonyl - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl chloride - Organic nitrogen compound - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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)

LNCaP (8286 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SETD7 Tchem Histone-lysine N-methyltransferase SETD7 (390 Activities)

Discover Target: SETD7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PRMT1 Tchem Protein-arginine N-methyltransferase 1 (867 Activities)

Discover Target: PRMT1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 20.06, Max Conc. mM: 50
• Peso molecular: 401.300 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 400.005 Da
• Monoisotopic Mass: 400.005 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 519.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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 17328-16-4, the molecular formula is C16H14Cl2N2O4S, and the molecular weight is 401.26 g/mol. InChIKey SHRCVZJKZJGIHQ-UHFFFAOYSA-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.