PFE-360 - ≥98% , CAS No.1527475-61-1

CAS: 1527475-61-1 Cat. No.: P649165 Fórmula: C₁₆H₁₆N₆O Peso molecular: 308.34 PubChem CID: 89915073

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

PFE-360 (PF-06685360) is a potent, selective, brain penetrated and orally active leucine-rich repeat kinase 2 (LRRK2) inhibitor with a mean IC 50 of 2.3 nM in vivo

In Vivo

PFE-360 (4 mg/kg and 7.5 mg/kg, orally, BID, 10-12 weeks) treatment potently decreases the LRRK2-pSer935/total LRRK2 ratio, with no significant adverse effects . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Female Sprague Dawley rats (NTac:SD) weighed 225-250 g. Dosage: 4 mg/kg and 7.5 mg/kg ( pharmacokinetics and pharmacodynamics ). Administration: Orally BID for 10-12 weeks. Result: The LRRK2-pSer935/total LRRK2 ratio was significantly decreased at both 1 h and 12 h after dosing. The terminal bodyweights exhibited no significant changes.

Form:Solid

IC50& Target:IC50: 2.3 nM (LRRK2 in vivo)

Specifications

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

PFE-360 (PF-06685360) is a potent, selective, brain penetrated and orally active leucine-rich repeat kinase 2 (LRRK2) inhibitor with a mean IC 50 of 2.3 nM in vivo.

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: CN1C=C(C=C1C#N)C2=CNC3=C2C(=NC=N3)N4CCOCC4
• IUPAC Name: 1-methyl-4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrrole-2-carbonitrile
• InChIKey: IYQTYHISVSPMSU-UHFFFAOYSA-N
• INCHI: 1S/C16H16N6O/c1-21-9-11(6-12(21)7-17)13-8-18-15-14(13)16(20-10-19-15)22-2-4-23-5-3-22/h6,8-10H,2-5H2,1H3,(H,18,19,20)
• SMILES isoméricas: CN1C=C(C=C1C#N)C2=CNC3=C2C(=NC=N3)N4CCOCC4
• PubChem CID: 89915073
• Peso molecular: 308.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrrolopyrimidines
      • Subclass Pyrrolo[2,3-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrrolopyrimidines
• Subclass: Pyrrolo[2,3-d]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolo[2,3-d]pyrimidines
• Alternative Parents: Dialkylarylamines Aminopyrimidines and derivatives N-methylpyrroles Morpholines Imidolactams Heteroaromatic compounds Oxacyclic compounds Nitriles Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolo[2,3-d]pyrimidine - Dialkylarylamine - Aminopyrimidine - Morpholine - N-methylpyrrole - Oxazinane - Pyrimidine - Substituted pyrrole - Imidolactam - Pyrrole - Heteroaromatic compound - Ether - Dialkyl ether - Nitrile - Carbonitrile - Azacycle - Oxacycle - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Cyanide - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-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

Alvos associados (humanos)

LRRK2 Tchem Leucine-rich repeat serine/threonine-protein kinase 2 (2 Activities)

Discover Target: LRRK2

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 10.42 mg/mL (33.79 mM; Need ultrasonic)
• Peso molecular: 308.340 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 308.139 Da
• Monoisotopic Mass: 308.139 Da
• Topological Polar Surface Area: 82.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 472.000
• 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