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AZD5069 - 10mM in DMSO, high purity , CAS No.878385-84-3, Antagonist of CXCR1;Antagonist of CXCR2

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Item Number
A426637
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A426637-1ml
1ml
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$241.90

CXCR Antagonists

Basic Description

Synonyms AZD-5069 | 878385-84-3 | AZD5069 | N-(2-((2,3-difluorobenzyl)thio)-6-(((2R,3S)-3,4-dihydroxybutan-2-yl)oxy)pyrimidin-4-yl)azetidine-1-sulfonamide | 4ADT8JXB9S | AZD 5069 [WHO-DD] | N-(2-(((2,3-Difluorophenyl)methyl)thio)-6-(((1R,2S)-2,3-dihydroxy-1-methylpropyl)oxy)-
Specifications & Purity Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms AZD5069 is a novel antagonist of CXCR2, which is shown to inhibit binding of CXCL8 to CXCR2 with a pIC50 value of 8.8 and inhibit CXCL8 binding to CXCR1 with pIC50 values of 6.5.
Storage Temp Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Action Type ANTAGONIST
Mechanism of action Antagonist of CXCR1;Antagonist of CXCR2
Product Description

Information

AZD5069 AZD5069 is a novel antagonist of CXCR2 , which is shown to inhibit binding of CXCL8 to CXCR2 with a pIC50 value of 8.8 and inhibit CXCL8 binding to CXCR1 with pIC50 values of 6.5.

Targets

CXCR2

In vitro

AZD5069 is a slowly reversible antagonist of CXCR2 with effects of time and temperature evident on the pharmacology and binding kinetics.

In vivo

In preclinical models, airway neutrophil recruitment in response to inflammatory challenge is abrogated by selective targeting of CXCR2 using AZD5069.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organosulfur compounds
Class Thioethers
Subclass Aryl thioethers
Intermediate Tree Nodes Not available
Direct Parent Aryl thioethers
Alternative Parents Alkyl aryl ethers  Alkylarylthioethers  Fluorobenzenes  Sulfuric acid diamides  Pyrimidines and pyrimidine derivatives  Aryl fluorides  Imidolactams  Heteroaromatic compounds  1,2-diols  Secondary alcohols  Azetidines  Sulfenyl compounds  Azacyclic compounds  Primary alcohols  Organofluorides  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Aryl thioether - Halobenzene - Alkyl aryl ether - Fluorobenzene - Alkylarylthioether - Sulfuric acid diamide - Pyrimidine - Aryl fluoride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Imidolactam - Organic sulfuric acid or derivatives - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Azetidine - Azacycle - Organoheterocyclic compound - Ether - Sulfenyl compound - Primary alcohol - Organic oxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
External Descriptors Not available

Associated Targets(Human)

CXCR2 Tchem C-X-C chemokine receptor type 2 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CXCR1 Tchem C-X-C chemokine receptor type 1 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 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 N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[(2R,3S)-3,4-dihydroxybutan-2-yl]oxypyrimidin-4-yl]azetidine-1-sulfonamide
INCHI InChI=1S/C18H22F2N4O5S2/c1-11(14(26)9-25)29-16-8-15(23-31(27,28)24-6-3-7-24)21-18(22-16)30-10-12-4-2-5-13(19)17(12)20/h2,4-5,8,11,14,25-26H,3,6-7,9-10H2,1H3,(H,21,22,23)/t11-,14+/m1/s1
InChIKey QZECRCLSIGFCIO-RISCZKNCSA-N
Smiles CC(C(CO)O)OC1=NC(=NC(=C1)NS(=O)(=O)N2CCC2)SCC3=C(C(=CC=C3)F)F
Isomeric SMILES C[C@H]([C@H](CO)O)OC1=NC(=NC(=C1)NS(=O)(=O)N2CCC2)SCC3=C(C(=CC=C3)F)F
Alternate CAS 878385-84-3
MeSH Entry Terms AZD5069;N-(2-(2,3-difluoro-6-benzylthio)-6-(3,4-dihydroxybutan-2-yloxy)pyrimidin-4-yl)azetidine-1-sulfonamide
Molecular Weight 476.52
Reaxy-Rn 49477242
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=49477242&ln=

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

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

Chemical and Physical Properties

Molecular Weight 476.500 g/mol
XLogP3 1.500
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 10
Exact Mass 476.1 Da
Monoisotopic Mass 476.1 Da
Topological Polar Surface Area 159.000 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 670.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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

Reviews

Customer Reviews

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