RG7800 - Moligand™, ≥98% , CAS No.1449598-06-4

CAS: 1449598-06-4 Cat. No.: R651157 Peso molecular: 416.52

GRADE & PURITY Moligand™, ≥98%

Synonyms

RO6885247

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

RG7800 is a SMN2 splicing modifier. RG7800 has the potential for spinal muscular atrophy treatment.

Specifications

Sinónimos

RO6885247

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

RG7800 is a SMN2 splicing modifier. RG7800 has the potential for spinal muscular atrophy treatment.

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.

Grado

Moligand™

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCC1=NC(=CN2C1=CC(=N2)C3=CC(=O)N4C=C(C=C(C4=N3)C)C5CCN(CC5)C)C
• IUPAC Name: 2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
• InChIKey: GYFRQCMDLBNZSF-UHFFFAOYSA-N
• INCHI: 1S/C24H28N6O/c1-5-19-22-11-21(27-30(22)13-16(3)25-19)20-12-23(31)29-14-18(10-15(2)24(29)26-20)17-6-8-28(4)9-7-17/h10-14,17H,5-9H2,1-4H3
• Isómeros SMILES: CCC1=NC(=CN2C1=CC(=N2)C3=CC(=O)N4C=C(C=C(C4=N3)C)C5CCN(CC5)C)C
• Términos de entrada MeSH: 2-(4-ethyl-6-methylpyrazolo(1,5-a)pyrazin-2-yl)-9-methyl-7-(1-methylpiperidin-4-yl)pyrido(1,2-a)pyrimidin-4-one;RG7800;RO6885247
• Peso molecular: 416.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridopyrimidines
• Alternative Parents: Pyrimidones Methylpyridines Aralkylamines Pyrazines Piperidines Pyrazoles Heteroaromatic compounds Trialkylamines Lactams Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridopyrimidine - Methylpyridine - Aralkylamine - Pyrimidone - Piperidine - Pyrazine - Pyrimidine - Pyridine - Azole - Heteroaromatic compound - Pyrazole - Lactam - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. 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

Objetivos asociados (humanos)

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (1 Activities)

Discover Target: KCNH2

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

Objetivos asociados (no humanos)

Abcb1b P-glycoprotein 1 (174 Activities)

Discover Target: Abcb1b

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

Mus musculus (284745 Activities)

Explore this target

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

NIH3T3 (5395 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Ethanol : 2.5 mg/mL (6.00 mM; Need ultrasonic) DMSO : 1.4 mg/mL (3.36 mM; Need ultrasonic and warming) H2O : 1.25 mg/mL (3.00 mM; ultrasonic and adjust pH to 3 with HCl) H2O : <0.1 mg/mL (insoluble)
• Peso molecular: 416.500 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 416.232 Da
• Monoisotopic Mass: 416.232 Da
• Topological Polar Surface Area: 66.100 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 865.000
• 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