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LAS38096 , CAS No.851371-22-7, Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor

COA COA
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Item Number
L611451
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L611451-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,334.90
L611451-25mg
25mg
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Production requires sourcing of materials. We appreciate your patience and understanding.
$2,001.90
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View related series
A1 receptor Antagonist (61) A2A receptor Antagonist (61) A2B receptor Antagonist (58) A3 receptor Antagonist (58) Class A GPCR (4138)

Basic Description

Synonyms 851371-22-7 | LAS38096 | UNII-168SF9F04E | LAS-38096 | 168SF9F04E | 4'-(2-Furyl)-N-(3-pyridinyl)-4,5'-bipyrimidin-2'-amine | CHEMBL375293 | (4,5'-Bipyrimidin)-2'-amine, 4'-(2-furanyl)-N-3-pyridinyl- | [4,5'-Bipyrimidin]-2'-amine, 4'-(2-furanyl)-N-3-pyridinyl- | 4-furan-2-y
Specifications & Purity Moligand™
Grade Moligand™
Action Type ANTAGONIST
Mechanism of action Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Diazines
Subclass Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes Not available
Direct Parent Bipyrimidines and oligopyrimidines
Alternative Parents Aminopyrimidines and derivatives  Aminopyridines and derivatives  Heteroaromatic compounds  Furans  Oxacyclic compounds  Azacyclic compounds  Organooxygen compounds  Hydrocarbon derivatives  Amines  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Bipyrimidine - Aminopyrimidine - Aminopyridine - Pyridine - Heteroaromatic compound - Furan - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as bipyrimidines and oligopyrimidines. These are organic compounds containing two or more pyrimidine rings directly linked to each other. 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

Associated Targets(Human)

ADORA2A Tclin Adenosine receptor A2a (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ADORA2B Tclin Adenosine receptor A2b (3 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ADORA1 Tclin Adenosine receptor A1 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ADORA3 Tchem Adenosine receptor A3 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ADORA1 Tclin Adenosine A1 receptor (17603 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADORA2A Tclin Adenosine A2a receptor (16305 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADORA2B Tclin Adenosine A2b receptor (7672 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADORA3 Tchem Adenosine A3 receptor (15931 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AURKB Tchem Serine/threonine-protein kinase Aurora-B (6805 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
FLT3 Tclin Tyrosine-protein kinase receptor FLT3 (13481 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MAP3K20 Tchem Mixed lineage kinase 7 (1473 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CLK4 Tchem Dual specificity protein kinase CLK4 (4053 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MAP4K5 Tchem Mitogen-activated protein kinase kinase kinase kinase 5 (1523 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MAP4K4 Tchem Mitogen-activated protein kinase kinase kinase kinase 4 (2886 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Canis familiaris (36305 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mus musculus (284745 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 4-furan-2-yl-N-pyridin-3-yl-5-pyrimidin-4-ylpyrimidin-2-amine
INCHI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
InChIKey YRPIMMMBNUUYLG-UHFFFAOYSA-N
Smiles n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1
Isomeric SMILES C1=CC(=CN=C1)NC2=NC=C(C(=N2)C3=CC=CO3)C4=NC=NC=C4
PubChem CID 11716665

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 316.320 g/mol
XLogP3 1.700
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 4
Exact Mass 316.107 Da
Monoisotopic Mass 316.107 Da
Topological Polar Surface Area 89.600 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 397.000
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

Solution Calculators

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