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AZD8848

CAT: 0013-GTR19206520-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206520-03Size:100 mg
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Description
AZD8848 is a selective antedrug agonist of toll-like receptor 7 (TLR7) developed for asthma and allergic rhinitis research. It has been utilized in both in vitro and in vivo experimental models to investigate immunomodulation and airway inflammation.
CAS Number
866269-28-5
Field of Research
Immunology & Inflammation
Smiles
CCCCOc1nc (N) c2[nH]c (=O) n (CCCN (CCCN3CCOCC3) Cc3cccc (CC (=O) OC) c3) c2n1
Molecular Formula
C29H43N7O5
Molecular Weight
569.7
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Azd-8848

AZD-8848 is under investigation in clinical trial NCT01818869 (To Assess the Safety, Tolerability, Pharmacokinetics and Pharmacodynamics of Multiple Doses AZD8848 in Healthy Subjects).

CAS Number866269-28-5
PubChem CID11592228
IUPAC Namemethyl 2-[3-[[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl-(3-morpholin-4-ylpropyl)amino]methyl]phenyl]acetate
Molecular FormulaC29H43N7O5
Molecular Weight569.7
XLogP2.3
Topological Polar Surface Area135
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count17
Heavy Atom Count41
Formal Charge0
Complexity802
SMILES
CCCCOC1=NC(=C2C(=N1)N(C(=O)N2)CCCN(CCCN3CCOCC3)CC4=CC=CC(=C4)CC(=O)OC)N
InChI
InChI=1S/C29H43N7O5/c1-3-4-16-41-28-32-26(30)25-27(33-28)36(29(38)31-25)13-7-12-35(11-6-10-34-14-17-40-18-15-34)21-23-9-5-8-22(19-23)20-24(37)39-2/h5,8-9,19H,3-4,6-7,10-18,20-21H2,1-2H3,(H,31,38)(H2,30,32,33)
InChIKey
FEFIBEHSXLKJGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azd-8848
CAS: 866269-28-5
CID: 11592228
Formula: C29H43N7O5
MW: 569.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight569.7
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count17
Exact Mass569.33256750
Monoisotopic Mass569.33256750
Topological Polar Surface Area135 Ų
Heavy Atom Count41
Formal Charge0
Complexity802
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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