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AZD9056 (hydrochloride)

CAT: 0804-HY-19427A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-19427A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AZD9056 hydrochloride is a selective orally active inhibitor of P2X7 which plays a significant role in inflammation and pain-causing diseases.
CAS Number
345303-91-5
UNSPSC
12352005
Hazard Statement
H302, H317, H361, H373
Target
P2X Receptor
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/AZD9056-hydrochloride.html
Purity
98.18
Solubility
DMSO : 50 mg/mL (ultrasonic) |H2O : 1.67 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(C1=CC(CCCNCCCO)=CC=C1Cl)NCC2(C[C@H](C3)C4)C[C@H]4C[C@H]3C2.Cl
Molecular Formula
C24H36Cl2N2O2
Molecular Weight
455.46
Precautions
H302, H317, H361, H373
References & Citations
[1]Seeland S, et al. ATP-induced cellular stress and mitochondrial toxicity in cells expressing purinergic P2X7 receptor. Pharmacol Res Perspect. 2015 Mar;3 (2) :e00123.|[2]Elsby R, et al. In vitro risk assessment of AZD9056 perpetrating a transporter-mediated drug-drug interaction with methotrexate. Eur J Pharm Sci. 2011 May 18;43 (1-2) :41-9.|[3]Hu H, et al. Blocking of the P2X7 receptor inhibits the activation of the MMP-13 and NF-κB pathways in the cartilage tissue of rats with osteoarthritis. Int J Mol Med. 2016 Dec;38 (6) :1922-1932.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
P2X7 Receptor
Citation 01
ACS Appl Mater Interfaces. 2025 Feb 5;17 (5) :7521-7538.|Adv Sci (Weinh) . 2025 Nov 6:e14842.|Biochim Biophys Acta Mol Basis Dis. 2024 Jan;1870 (1) :166895.|Front Immunol. 2021 Jan 8;11:602016.|J Pharmacol Sci. 2020 Sep;144 (1) :43-51.

Chemical Information

AZD-9056 hydrochloride
CAS Number345303-91-5
PubChem CID10161380
IUPAC NameN-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]benzamide;hydrochloride
Molecular FormulaC24H36Cl2N2O2
Molecular Weight455.5
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity514
SMILES
C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)CCCNCCCO)Cl.Cl
InChI
InChI=1S/C24H35ClN2O2.ClH/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24;/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29);1H
InChIKey
LZBBHFRRZLDHLE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AZD-9056 hydrochloride
CAS: 345303-91-5
CID: 10161380
Formula: C24H36Cl2N2O2
MW: 455.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass454.2153838
Monoisotopic Mass454.2153838
Topological Polar Surface Area61.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity514
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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