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

Descripción general

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

Sinónimos

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) |

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Propiedades del producto

• ALogP: 5.117
• hba_count: 2
• Recuento HBD: 2
• Enlace rotable: 4

Nombres e identificadores

• Pubchem Sid: 504763247
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763247
• Sonrisas canónicas: 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)
• Isómeros 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
• Peso molecular: 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
    • 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: 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
• Descripción: 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

Objetivos asociados (humanos)

PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

Discover Target: PIN1

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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

SK-OV-3 (52876 Activities)

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HCT-116 (91556 Activities)

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HepG2 (196354 Activities)

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

MDA-MB-231 (73002 Activities)

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

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

TSG101 Tbio Tumor susceptibility gene 101 protein (2874 Activities)

Discover Target: TSG101

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

RXFP1 Tchem Relaxin receptor 1 (6345 Activities)

Discover Target: RXFP1

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

APOBEC3G Tchem DNA dC->dU-editing enzyme APOBEC-3G (12481 Activities)

Discover Target: APOBEC3G

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

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

Discover Target: USP1

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

APOBEC3F Tbio DNA dC->dU-editing enzyme APOBEC-3F (14861 Activities)

Discover Target: APOBEC3F

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

Objetivos asociados (no humanos)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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

FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 87 mg/mL (198.88 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO (mg/ml) Solubilidad máxima: 87
• DMSO (mM) Solubilidad máxima: 198.888965091558
• Agua (mg/ml) Solubilidad máxima: ＜1
• Peso molecular: 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