(Rac)-Tavapadon - ≥99% , CAS No.1643462-64-9

CAS: 1643462-64-9 Cat. No.: T651255 Formula: C₁₉H₁₆F₃N₃O₃ Peso molecolare: 391.34 PubChem CID: 86764100

QUALITÀ & PUREZZA ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

(Rac)-Tavapadon ((Rac)-PF-06649751) is a potent and selective noncatechol dopamine D1 receptor agonist. (Rac)-Tavapadon displays potent full agonism in the GS activation assay as well as partial agonism in the β-arrestin2 recruitment assay (GS-cAMP, EC 50 =0.8 nM; β-arrestin2, EC 50 =68 nM). (Rac)-Tavapadon has antiparkinsonian activity

In Vitro

(Rac)-Tavapadon ((Rac)-PF-06649751; compound 32) has E MAX s of 118% and 30% in the GS activation assay and the β-arrestin2 recruitment assay. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:D 1 Receptor

Specifiche

Specifiche e purezza

≥99%

Meccanismi biochimici e fisiologici

(Rac)-Tavapadon ((Rac)-PF-06649751) is a potent and selective noncatechol dopamine D1 receptor agonist. (Rac)-Tavapadon displays potent full agonism in the GS activation assay as well as partial agonism in the β-arrestin2 recruitment assay (GS-cAMP, EC 50

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

AGONIST

Purezza

≥99%

Proprietà del prodotto

ALogP

3.3

Nomi e identificatori

Sorrisi canonici

O=C1NC(C(C)=C(C2=CC=C(OC3=NC=CC=C3C(F)(F)F)C=C2C)N1C)=O

IUPAC Name

1,5-dimethyl-6-[2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]oxyphenyl]pyrimidine-2,4-dione

InChIKey

AKQXQLUNFKDZBN-UHFFFAOYSA-N

INCHI

1S/C19H16F3N3O3/c1-10-9-12(28-17-14(19(20,21)22)5-4-8-23-17)6-7-13(10)15-11(2)16(26)24-18(27)25(15)3/h4-9H,1-3H3,(H,24,26,27)

Isomeri SMILES

CC1=C(C=CC(=C1)OC2=C(C=CC=N2)C(F)(F)F)C3=C(C(=O)NC(=O)N3C)C

PubChem CID

86764100

Peso molecolare

391.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrimidines
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Toluenes Pyrimidones Pyridines and derivatives Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-phenylpyrimidine - Diaryl ether - Phenoxy compound - Phenol ether - Pyrimidone - Toluene - Monocyclic benzene moiety - Hydropyrimidine - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Urea - Lactam - Azacycle - Ether - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Alkyl halide - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Alkyl fluoride - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: DMSO : 41.67 mg/mL (106.48 mM; Need ultrasonic)
• Peso molecolare: 391.300 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 391.114 Da
• Monoisotopic Mass: 391.114 Da
• Topological Polar Surface Area: 71.500 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 665.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% 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 1643462-64-9, the molecular formula is C19H16F3N3O3, and the molecular weight is 391.34 g/mol. InChIKey AKQXQLUNFKDZBN-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.