AS1810722 - ≥98% , CAS No.909561-15-5

CAS: 909561-15-5 Cat. No.: A647253 Fórmula: C₂₅H₂₅F₂N₇O Peso molecular: 477.51 PubChem CID: 44208030

GRAU & PUREZA ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

AS1810722 is an orally active and potent STAT6 inhibitor with an IC 50 of 1.9 nM. AS1810722 shows a good profile of CYP3A4 inhibition. AS1810722, a derivative of fused bicyclic pyrimidine, has the potential for allergic diseases such as asthma and atopic diseases research

In Vitro

AS1810722 (compound 24) inhibits production of IL-4 with an IC 50 of 2.4 nM, but shows no effect on production of IFN-γ. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

AS1810722 (compound 24; 0.03-0.3 mg/kg; orally; 30 min before, and 24h and 48 h after OVA exposure) suppress eosinophil infiltration in the lung in a dose-dependent manner in an antigen-induced mouse asthmatic model . AS1810722 inhibits in vitro Th2 differentiation with an IC 50 of 2.4 nM without affecting type 1 helper T (Th1) cell differentiation and eosinophil infiltration in an antigen-induced mouse asthmatic model after oral administration . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Female Balb/c mice asthmatic model by intraperitoneal injection of ovalbumin (OVA)-containing aluminum hydroxide gel Dosage: 0.03-0.3 mg/kg Administration: Orally; 30 min before, and 24 and 48 h after OVA exposure Result: Suppressed eosinophil infiltration in the lung in a dose-dependent manner.

Form:Solid

IC50& Target:STAT6 1.9 nM (IC 50 ) CYP3A4

Especificações

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

AS1810722 is an orally active and potent STAT6 inhibitor with an IC 50 of 1.9 nM. AS1810722 shows a good profile of CYP3A4 inhibition. AS1810722, a derivative of fused bicyclic pyrimidine, has the potential for allergic diseases such as asthma and atopic

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

C1CN(CCN1CC(=O)N)C2=CC=C(C=C2)NC3=NC=C4C=CN(C4=N3)CC5=CC(=CC(=C5)F)F

IUPAC Name

2-[4-[4-[[7-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]acetamide

InChIKey

IJFRMEXSGYTWGY-UHFFFAOYSA-N

INCHI

1S/C25H25F2N7O/c26-19-11-17(12-20(27)13-19)15-34-6-5-18-14-29-25(31-24(18)34)30-21-1-3-22(4-2-21)33-9-7-32(8-10-33)16-23(28)35/h1-6,11-14H,7-10,15-16H2,(H2,28,35)(H,29,30,31)

SMILES isoméricas

C1CN(CCN1CC(=O)N)C2=CC=C(C=C2)NC3=NC=C4C=CN(C4=N3)CC5=CC(=CC(=C5)F)F

PubChem CID

44208030

Peso molecular

477.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: Alpha amino acid amides N-arylpiperazines N-piperazineacetamides Pyrrolo[2,3-d]pyrimidines Aniline and substituted anilines Dialkylarylamines Aminopyrimidines and derivatives N-alkylpiperazines Fluorobenzenes Substituted pyrroles Aryl fluorides Heteroaromatic compounds Trialkylamines Primary carboxylic acid amides Azacyclic compounds Secondary amines Carbonyl compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - Phenylpiperazine - N-arylpiperazine - Alpha-amino acid or derivatives - N-piperazineacetamide - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Aniline or substituted anilines - Dialkylarylamine - Aminopyrimidine - Halobenzene - Fluorobenzene - N-alkylpiperazine - Pyrimidine - Substituted pyrrole - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Benzenoid - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Primary carboxylic acid amide - Secondary amine - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl 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

Alvos associados (humanos)

STAT6 Tchem Signal transducer and activator of transcription 6 (1 Activities)

Discover Target: STAT6

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

Alvos associados (não humanos)

Mus musculus (284745 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 62.5 mg/mL (130.89 mM; Need ultrasonic)

Perguntas frequentes

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 909561-15-5, the molecular formula is C25H25F2N7O, and the molecular weight is 477.51 g/mol. InChIKey IJFRMEXSGYTWGY-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.