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

CAS: 256498-66-5 Cat. No.: B288616 Molecular Weight: 420.44

GRADE & PURITY ≥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

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product description：

BAY 41-8543 is an orally active, nitric oxide (NO)-independent stimulator of soluble guanylyl cyclase (sGC). BAY 41-8543 has vasodilator activity in the pulmonary and systemic vascular beds in the rat. BAY 41-8543 has antiplatelet effects and has the potential for cardiovascular diseases research.

Specifications

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

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Guanylyl cyclase (sGC) stimulator. Increases activity of sGC by up to 92-fold at concentrations up to 100μM. Induces relaxation of aorta, saphenous arteries, coronary arteries and veinsin vitro. Inhibits collagen-induced platelet aggregation. Promotes lip

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ACTIVATOR

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: C1COCCN1C2=C(N=C(N=C2N)C3=NN(C4=C3C=CC=N4)CC5=CC=CC=C5F)N
• Molecular Weight: 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
    • Class Pyrazolopyridines

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

Associated Targets(Human)

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)

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

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 4.2, Max Conc. mM: 10 with gentle warming
• Molecular Weight: 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