PF-06454589 - ≥99% , CAS No.1527473-30-8

CAS: 1527473-30-8 Cat. No.: P648862 Fórmula: C₁₄H₁₆N₆O Peso molecular: 284.32 Número EC: 808-611-1 PubChem CID: 72706837

GRADE & PURITY ≥99%

Synonyms

BDBM50059307 | compound 28 [PMID: 25353650] | 1527473-30-8 | HY-112855 | BCP30270 | PF-06454589 | Q27088323 | 4-(5-(1-methyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine | AC-35574 | AKOS040759238 | EX-A2017 | 5-(1-methyl-1H-pyrazol-4-yl)-4

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

PF-06447475 is a highly potent, selective, brain penetrant LRRK2 kinase inhibitor with IC 50 values of 3 nM and 11 nM for WT LRRK and G2019S LRRK2 , respectively. PF-06447475 can be used for parkinson's disease (PD) research.

Form:Solid

Specifications

Sinónimos

BDBM50059307 | compound 28 [PMID: 25353650] | 1527473-30-8 | HY-112855 | BCP30270 | PF-06454589 | Q27088323 | 4-(5-(1-methyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine | AC-35574 | AKOS040759238 | EX-A2017 | 5-(1-methyl-1H-pyrazol-4-yl)-4

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

PF-06447475 is a highly potent, selective, brain penetrant LRRK2 kinase inhibitor with IC 50 values of 3 nM and 11 nM for WT LRRK and G2019S LRRK2 , respectively. PF-06447475 can be used for parkinson's disease (PD) research.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CN1C=C(C=N1)C2=CNC3=C2C(=NC=N3)N4CCOCC4
• IUPAC Name: 4-[5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
• InChIKey: VNWKCLDQBNSJJO-UHFFFAOYSA-N
• INCHI: 1S/C14H16N6O/c1-19-8-10(6-18-19)11-7-15-13-12(11)14(17-9-16-13)20-2-4-21-5-3-20/h6-9H,2-5H2,1H3,(H,15,16,17)
• Isómeros SMILES: CN1C=C(C=N1)C2=CNC3=C2C(=NC=N3)N4CCOCC4
• PubChem CID: 72706837
• Peso molecular: 284.32

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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 Substituted pyrroles Morpholines Imidolactams Pyrazoles Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolo[2,3-d]pyrimidine - Dialkylarylamine - Aminopyrimidine - Morpholine - Oxazinane - Imidolactam - Substituted pyrrole - Pyrimidine - Azole - Heteroaromatic compound - Pyrazole - Pyrrole - Dialkyl ether - Ether - Oxacycle - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Objetivos asociados (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)

LRRK2 Tchem Leucine-rich repeat serine/threonine-protein kinase 2 (6390 Activities)

Discover Target: LRRK2

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 15.62 mg/mL (54.94 mM; ultrasonic and warming and heat to 60°C)
• Peso molecular: 284.320 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 284.139 Da
• Monoisotopic Mass: 284.139 Da
• Topological Polar Surface Area: 71.900 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 363.000
• 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

Preguntas frecuentes

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 1527473-30-8, the molecular formula is C14H16N6O, and the molecular weight is 284.32 g/mol. InChIKey VNWKCLDQBNSJJO-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.