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

CAS: 1449598-06-4 Cat. No.: R651157 Formule: C₂₄H₂₈N₆O Poids moléculaire: 416.52

GRADE & PURITY Moligand™, ≥98%

Synonyms

RO6885247

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

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

Specifications

Synonymes

RO6885247

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

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

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.

Grade

Moligand™

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528766871
• Sourires canoniques: 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
• Isomères SMILES: CCC1=NC(=CN2C1=CC(=N2)C3=CC(=O)N4C=C(C=C(C4=N3)C)C5CCN(CC5)C)C
• Termes d'entrée 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
• Poids moléculaire: 416.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Cibles associées (humaines)

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

Cibles associées (non humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: 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)
• Poids moléculaire: 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