NSC 80538 - ≥98% , CAS No.370-26-3

CAS: 370-26-3 Cat. No.: N412274 Summenformel: C₁₃H₁₀ClFN₂S Molekulargewicht: 280.75

GRADE & PURITY ≥98%

Synonyms

370-26-3|1-(4-chlorophenyl)-3-(4-fluorophenyl)thiourea|N-(4-chlorophenyl)-N'-(4-fluorophenyl)thiourea|NSC 80538|NSC80538|NSC 80538370-26-3|MLS000721417|CHEMBL1350902|DTXSID60390717|HMS2609A23|BCP32793|NSC-80538|AKOS003410520|3M-338S|SMR000337048|N16899|3-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

NSC 80538 (1-(4-Chlorophenyl)-3-(4-fluorophenyl)thiourea) is an inhibitor of MEK Kinase PB1 Domains in Multiplex HTS Assay.

Specifications

Synonyme

370-26-3 | 1-(4-chlorophenyl)-3-(4-fluorophenyl)thiourea | N-(4-chlorophenyl)-N'-(4-fluorophenyl)thiourea | NSC 80538 | NSC80538 | NSC 80538370-26-3 | MLS000721417 | CHEMBL1350902 | DTXSID60390717 | HMS2609A23 | BCP32793 | NSC-80538 | AKOS003410520 | 3M-338S | SMR000337048 | N16899 | 3-

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

NSC 80538 (1-(4-Chlorophenyl)-3-(4-fluorophenyl)thiourea) is an inhibitor of MEK Kinase PB1 Domains in Multiplex HTS Assay.

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%

Namen und Kennungen

• Pubchem Sid: 528766329
• Kanonisches Lächeln: C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)Cl)F
• IUPAC Name: 1-(4-chlorophenyl)-3-(4-fluorophenyl)thiourea
• InChIKey: NIPYHMPCDVJZQR-UHFFFAOYSA-N
• INCHI: 1S/C13H10ClFN2S/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)
• Isomere SMILES: C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)Cl)F
• Molekulargewicht: 280.75
• Reaxy-Rn: 3532426
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3532426&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass N-phenylthioureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: N-phenylthioureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylthioureas
• Alternative Parents: Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Thioureas Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylthiourea - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Thiourea - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea 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

Zugehörige Ziele (menschlich)

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

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

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

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

ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

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

Zugehörige Ziele (nicht menschlich)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

TGR Thioredoxin glutathione reductase (28579 Activities)

Discover Target: TGR

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 280.750 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 280.024 Da
• Monoisotopic Mass: 280.024 Da
• Topological Polar Surface Area: 56.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 274.000
• 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