TC-E 5003 - 10mM in DMSO , CAS No.17328-16-4

CAS: 17328-16-4 Cat. No.: T422121 Formule: C₁₆H₁₄Cl₂N₂O₄S Poids moléculaire: 401.26 PubChem CID: 87052

GRADE & PURITY 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonymes

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

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

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-

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

• Pubchem Sid: 528767362
• Sourires canoniques: 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)
• Isomères SMILES: C1=CC(=CC=C1NC(=O)CCl)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCl
• PubChem CID: 87052
• Poids moléculaire: 401.26

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Cibles associées (humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 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