FDI-6 - ≥98% , CAS No.313380-27-7

CAS: 313380-27-7 Cat. No.: F414459 Summenformel: C₁₉H₁₁F₄N₃OS₂ Molekulargewicht: 437.43 EG-Nummer: 648-999-8

GRADE & PURITY ≥98%

Synonyms

NCGC00099374 | NCGC00099374-01 | AS-57575 | MFCD01416826 | 3-amino-N-(4-fluorophenyl)-6-(thiophen-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide | HMS1798G15 | FDI-6, >=98% (HPLC) | ZATJMMZPGVDUOM-UHFFFAOYSA-N | FOXM1 Inhibitor III (FDI-6) |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

FDI-6 FDI-6 (NCGC00099374) is an inhibitor of the Forkhead box protein M1 transcription factor (FOXM1) with IC50 of 22.5 μM.

Targets

FOXM1 (Cell-free assay) 22.5 μM

In vitro

FDI-6 (NCGC00099374) is characterized in depth and is shown to bind directly to FOXM1 protein, to displace FOXM1 from genomic targets in MCF-7 breast cancer cells, and induces concomitant transcriptional down-regulation. Global transcript profiling of MCF-7 cells by RNA-seq shows that FDI-6 specifically down-regulates FOXM1-activated genes with FOXM1 occupancy confirmed by ChIP-seq.

In vivo

Inhibiting FOXM1 with FDI-6 inhibits liver cancer cell growth in vivo.

Cell Research(from reference)

Cell lines：MCF-7 cells 

Concentrations：20 μM, 40 μM 

Incubation Time：6 h 

Specifications

Synonyme

NCGC00099374 | NCGC00099374-01 | AS-57575 | MFCD01416826 | 3-amino-N-(4-fluorophenyl)-6-(thiophen-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide | HMS1798G15 | FDI-6, >=98% (HPLC) | ZATJMMZPGVDUOM-UHFFFAOYSA-N | FOXM1 Inhibitor III (FDI-6) |

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

FDI-6 (NCGC00099374) is an inhibitor of the Forkhead box protein M1 transcription factor (FOXM1) with IC50 of 22.5 μM.

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%

Produkteigenschaften

ALogP

5.117

hba_count

2

HBD-Zahl

2

Rotationsfähige Bindung

4

Namen und Kennungen

Pubchem Sid

504763247

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763247

Kanonisches Lächeln

C1=CSC(=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)NC4=CC=C(C=C4)F)N

IUPAC Name

3-amino-N-(4-fluorophenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

InChIKey

ZATJMMZPGVDUOM-UHFFFAOYSA-N

INCHI

1S/C19H11F4N3OS2/c20-9-3-5-10(6-4-9)25-17(27)16-15(24)14-11(19(21,22)23)8-12(26-18(14)29-16)13-2-1-7-28-13/h1-8H,24H2,(H,25,27)

Isomere SMILES

C1=CSC(=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)NC4=CC=C(C=C4)F)N

Molekulargewicht

437.43

Reaxy-Rn

32458479

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32458479&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Thienopyridines Pyridinecarboxamides 2-heteroaryl carboxamides Thiophene carboxamides Fluorobenzenes Aminothiophenes Aryl fluorides Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organooxygen compounds Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aromatic anilide - Pyridinecarboxamide - Thienopyridine - 2-heteroaryl carboxamide - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Fluorobenzene - Halobenzene - Aminothiophene - Aryl fluoride - Aryl halide - Pyridine - Heteroaromatic compound - Vinylogous amide - Thiophene - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Alkyl halide - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl fluoride - Primary amine - Amine - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl 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

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SK-OV-3 (52876 Activities)

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HCT-116 (91556 Activities)

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HepG2 (196354 Activities)

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MDA-MB-231 (73002 Activities)

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Zugehörige Ziele (nicht menschlich)

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FTL Ferritin light chain (43324 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 87 mg/mL (198.88 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO (mg/ml) Maximale Löslichkeit: 87
• DMSO (mM) Maximale Löslichkeit: 198.888965091558
• Wasser (mg/ml) Maximale Löslichkeit: ＜1
• Molekulargewicht: 437.400 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 437.028 Da
• Monoisotopic Mass: 437.028 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 602.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 313380-27-7, the molecular formula is C19H11F4N3OS2, and the molecular weight is 437.43 g/mol. InChIKey ZATJMMZPGVDUOM-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.