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GSK2245035

CAT: 0804-HY-118250-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-118250-01Size:5 mg
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Description
GSK2245035 is a highly potent and selective intranasal Toll-Like receptor 7 (TLR7) agonist with preferential Type-1 interferon (IFN) -stimulating properties. GSK2245035 has pEC50s of 9.3 and 6.5 for IFNα and TFNα. GSK2245035 effectively suppresses allergen-induced Th2 cytokine production in human peripheral blood cell cultures. GSK2245035 is used for asthma[1].
CAS Number
1207629-49-9
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335, H361
Target
IFNAR; TNF Receptor; Toll-like Receptor (TLR)
Type
Reference compound
Related Pathways
Apoptosis; Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/gsk2245035.html
Purity
99.79
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=C1NC2=C(N=C(N=C2N1CCCCCN3CCCCC3)O[C@H](CCC)C)N
Molecular Formula
C20H34N6O2
Molecular Weight
390.52
Precautions
H302, H315, H319, H335, H361
References & Citations
[1]Biggadike K, et al. Discovery of 6-Amino-2-{[ (1S) -1-methylbutyl]oxy}-9-[5- (1-piperidinyl) pentyl]-7,9-dihydro-8H-purin-8-one (GSK2245035), a Highly Potent and Selective Intranasal Toll-Like Receptor 7 Agonist for the Treatment of Asthma. J Med Chem. 2016 Mar 10;59 (5) :1711-26.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
TLR7; TNFRSF5/CD40

Chemical Information

Gsk-2245035

GSK2245035 is under investigation in clinical trial NCT02833974 (Effect of the GSK2245035 on the Allergen-induced Asthmatic Response).

CAS Number1207629-49-9
PubChem CID44623937
IUPAC Name6-amino-2-[(2S)-pentan-2-yl]oxy-9-(5-piperidin-1-ylpentyl)-7H-purin-8-one
Molecular FormulaC20H34N6O2
Molecular Weight390.5
XLogP3
Topological Polar Surface Area96.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count28
Formal Charge0
Complexity487
SMILES
CCC[C@H](C)OC1=NC(=C2C(=N1)N(C(=O)N2)CCCCCN3CCCCC3)N
InChI
InChI=1S/C20H34N6O2/c1-3-10-15(2)28-19-23-17(21)16-18(24-19)26(20(27)22-16)14-9-5-8-13-25-11-6-4-7-12-25/h15H,3-14H2,1-2H3,(H,22,27)(H2,21,23,24)/t15-/m0/s1
InChIKey
LFMPVTVPXHNXOT-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Gsk-2245035
CAS: 1207629-49-9
CID: 44623937
Formula: C20H34N6O2
MW: 390.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.5
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass390.27432435
Monoisotopic Mass390.27432435
Topological Polar Surface Area96.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity487
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA3541-5.1GSK2245035

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