WAY-329598 - ≥98% , CAS No.956910-48-8

CAS: 956910-48-8 Cat. No.: W418113 Summenformel: C₂₀H₁₈FN₃O₃ Molekulargewicht: 367.4 PubChem CID: 4791006

GRADE & PURITY ≥98%

Synonyms

MLS002248642 | SMR001316102 | AB00733608-01 | [2-(2-fluoroanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate | Z14767177 | DTXSID801327413 | AKOS000817646 | 2-((2-Fluorophenyl)amino)-2-oxoethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate | HMS3076O17

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

kinase inhibitory activity

Specifications

Synonyme

MLS002248642 | SMR001316102 | AB00733608-01 | [2-(2-fluoroanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate | Z14767177 | DTXSID801327413 | AKOS000817646 | 2-((2-Fluorophenyl)amino)-2-oxoethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate | HMS3076O17

Spezifikationen & Reinheit

≥98%

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

3.062

HBD-Zahl

1

Rotationsfähige Bindung

5

Namen und Kennungen

Pubchem Sid

488195003

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195003

Kanonisches Lächeln

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3F)C

IUPAC Name

[2-(2-fluoroanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

InChIKey

RZHHXBXEIVVNPI-UHFFFAOYSA-N

INCHI

1S/C20H18FN3O3/c1-13-11-14(2)24(23-13)16-9-7-15(8-10-16)20(26)27-12-19(25)22-18-6-4-3-5-17(18)21/h3-11H,12H2,1-2H3,(H,22,25)

Isomere SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3F)C

PubChem CID

4791006

Molekulargewicht

367.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Benzoic acid esters Anilides N-arylamides Benzoyl derivatives Fluorobenzenes Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - Benzoate ester - Benzoic acid or derivatives - Anilide - N-arylamide - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole 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

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

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10

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 956910-48-8, the molecular formula is C20H18FN3O3, and the molecular weight is 367.4 g/mol. InChIKey RZHHXBXEIVVNPI-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.