SC-1 - ≥98% , CAS No.1313019-65-6

CAS: 1313019-65-6 Cat. No.: S412668 Formula: C₂₁H₁₃ClF₃N₃O₂ Peso molecolare: 431.80 Numero EC: 806-020-3 PubChem CID: 53327725

GRADE & PURITY ≥98%

Synonyms

1313019-65-6 | E73479 | SCHEMBL15746582 | 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-[4-(4-cyanophenoxy)phenyl]urea | 1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(4-(4-cyanophenoxy)phenyl)urea | AKOS032470290 | 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(4-cy

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

Information

SC-1 blocks STAT3 phosphorylation and activation, and induces apoptosis in hepatocellular carcinoma cell lines. SC-1 is a derivative of the multiple tyrosine kinase inhibitor sorafenib.

Specifications

Sinonimi

1313019-65-6 | E73479 | SCHEMBL15746582 | 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-[4-(4-cyanophenoxy)phenyl]urea | 1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(4-(4-cyanophenoxy)phenyl)urea | AKOS032470290 | 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(4-cy

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

SC-1 blocks STAT3 phosphorylation and activation, and induces apoptosis in hepatocellular carcinoma cell lines. SC-1 is a derivative of the multiple tyrosine kinase inhibitor sorafenib.

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

508811091

Sorrisi canonici

C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

IUPAC Name

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(4-cyanophenoxy)phenyl]urea

InChIKey

HVPZDXDXIQZKHU-UHFFFAOYSA-N

INCHI

1S/C21H13ClF3N3O2/c22-19-10-5-15(11-18(19)21(23,24)25)28-20(29)27-14-3-8-17(9-4-14)30-16-6-1-13(12-26)2-7-16/h1-11H,(H2,27,28,29)

Isomeri SMILES

C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

WGK Germania

3

PubChem CID

53327725

Peso molecolare

431.80

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Trifluoromethylbenzenes N-phenylureas Benzonitriles Phenoxy compounds Phenol ethers Chlorobenzenes Aryl chlorides Ureas Nitriles Organochlorides Hydrocarbon derivatives Organofluorides Alkyl fluorides Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Trifluoromethylbenzene - N-phenylurea - Phenoxy compound - Benzonitrile - Phenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Urea - Ether - Carbonitrile - Nitrile - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Cyanide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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

Obiettivi associati (umani)

RAF1 Tclin Serine/threonine-protein kinase RAF (4169 Activities)

Discover Target: RAF1

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

STAT3 Tchem Signal transducer and activator of transcription 3 (3313 Activities)

Discover Target: STAT3

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

PTPN6 Tchem Protein-tyrosine phosphatase 1C (687 Activities)

Discover Target: PTPN6

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 431.800 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 431.065 Da
• Monoisotopic Mass: 431.065 Da
• Topological Polar Surface Area: 74.200 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 623.000
• 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