Tavapadon - ≥97% , Dopamine D5 receptor partial agonist, CAS No.1643489-24-0, Dopamine D5 receptor partial agonist

CAS: 1643489-24-0 Cat. No.: T412797 Formule: C₁₉H₁₆F₃N₃O₃ Poids moléculaire: 391.34 PubChem CID: 86764100

GRADE & PURITY ≥97%

Synonyms

A890906 | UNII-PT4P8MJP8L | (Rac)-Tavapadon | AC-36997 | KS-1260 | PT4P8MJP8L | PF-06649751 | (-)-1,5-dimethyl-6-(2-methyl-4-((3-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)-2,4(1H,3H)-pyrimidinedione | (-)-1,5-Dimethyl-6-(2-methyl-4-((3-(trifluoromethyl)pyr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

A890906 | UNII-PT4P8MJP8L | (Rac)-Tavapadon | AC-36997 | KS-1260 | PT4P8MJP8L | PF-06649751 | (-)-1,5-dimethyl-6-(2-methyl-4-((3-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)-2,4(1H,3H)-pyrimidinedione | (-)-1,5-Dimethyl-6-(2-methyl-4-((3-(trifluoromethyl)pyr

Spécifications et pureté

≥97%

Mécanismes biochimiques et physiologiques

Tavapadon (PF-6649751, CVL-751) is a partial agonist of dopamine receptor. Tavapadon is useful in the treatment of Parkinson's disease and Alzheimer's.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

PARTIAL AGONIST

Mécanisme d'action

Dopamine D5 receptor partial agonist

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 528767466
• Sourires canoniques: CC1=C(C=CC(=C1)OC2=C(C=CC=N2)C(F)(F)F)C3=C(C(=O)NC(=O)N3C)C
• 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)
• Isomères 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
• Poids moléculaire: 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
• Description: 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

Cibles associées (humaines)

DRD1 Tclin D(1A) dopamine receptor (3 Activities)

Discover Target: DRD1

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 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