BAIA 41-8543 - ≥98% (HPLC) , CAS No.256498-66-5

CAS: 256498-66-5 Cat. No.: B288616 Formula: C₂₁H₂₁FN₈O Peso molecolare: 420.44

QUALITÀ & PUREZZA ≥98%(HPLC)

Synonyms

AS-35182 | Q27256130 | 2-(1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-morpholinopyrimidine-4,6-diamine | b]pyridin-3-yl}-5-(morpholin-4-yl)pyrimidine-4,6- | 2-[1-[(2-luorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-morpholin-4-ylpyrimidine-4,6-d

Storage

Conservare a -20°C

Shipped In

Cassetta del ghiaccio + cuscini per il ghiaccio

Panoramica

Descrizione del prodotto：BAY 41-8543 è uno stimolatore dell'ossido nitrico (NO) indipendente dalla guanililciclasi solubile

BAY 41-8543 è uno stimolatore dell'ossido nitrico (NO) indipendente dalla guanililciclasi solubile (sGC), attivo per via orale. BAY 41-8543 ha un'attività vasodilatatrice nei letti vascolari polmonari e sistemici del ratto. BAY 41-8543 ha effetti antiaggreganti e ha un potenziale per la ricerca sulle malattie cardiovascolari.

Specifiche

Sinonimi

AS-35182 | Q27256130 | 2-(1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-morpholinopyrimidine-4,6-diamine | b]pyridin-3-yl}-5-(morpholin-4-yl)pyrimidine-4,6- | 2-[1-[(2-luorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-morpholin-4-ylpyrimidine-4,6-d

Specifiche e purezza

≥98% (HPLC)

Meccanismi biochimici e fisiologici

Stimolatore della guanililciclasi (sGC). Aumenta l'attività della sGC fino a 92 volte a concentrazioni fino a 100μM. Induce il rilassamento di aorta, arterie safene, arterie coronarie e vene in vitro. Inibisce l'aggregazione piastrinica indotta dal collag

Condizioni di conservazione di stoccaggio

Conservare a -20°C

Spedito in

Cassetta del ghiaccio + cuscini per il ghiaccio

Tipo di azione

ACTIVATOR

Purezza

≥98%(HPLC)

Nomi e identificatori

Sorrisi canonici

C1COCCN1C2=C(N=C(N=C2N)C3=NN(C4=C3C=CC=N4)CC5=CC=CC=C5F)N

IUPAC Name

2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-morpholin-4-ylpyrimidine-4,6-diamine

InChIKey

AQYFUZRYBJBAGZ-UHFFFAOYSA-N

INCHI

1S/C21H21FN8O/c22-15-6-2-1-4-13(15)12-30-21-14(5-3-7-25-21)16(28-30)20-26-18(23)17(19(24)27-20)29-8-10-31-11-9-29/h1-7H,8-12H2,(H4,23,24,26,27)

Isomeri SMILES

C1COCCN1C2=C(N=C(N=C2N)C3=NN(C4=C3C=CC=N4)CC5=CC=CC=C5F)N

Peso molecolare

420.44

Reaxy-Rn

9095449

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9095449&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrazolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrazolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolopyridines
• Alternative Parents: Dialkylarylamines Fluorobenzenes Aminopyrimidines and derivatives Pyridines and derivatives Morpholines Imidolactams Aryl fluorides Pyrazoles Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolopyridine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyridine - Pyrimidine - Benzenoid - Imidolactam - Azole - Heteroaromatic compound - Pyrazole - Tertiary amine - Azacycle - Ether - Dialkyl ether - Oxacycle - Primary amine - Organic oxygen compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyrazolopyridines. These are compounds containing a pyrazolopyridine skeleton, which consists of a pyrazole fused to a pyridine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyridine is a 6-membered ring with four carbon and one nitrogen atoms.
• 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

Obiettivi associati (umani)

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

Liver microsomes (16955 Activities)

Explore this target

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

Obiettivi associati (non umani)

Rattus norvegicus (775804 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:DMSO, Max Conc. mg/mL: 4.2, Max Conc. mM: 10 with gentle warming
• Peso molecolare: 420.400 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 420.182 Da
• Monoisotopic Mass: 420.182 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 584.000
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. 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 256498-66-5, the molecular formula is C21H21FN8O, and the molecular weight is 420.44 g/mol. InChIKey AQYFUZRYBJBAGZ-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.