Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C19H28N8O2 |
| Molecular Weight | 400.478 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCCNC1=NC2=C(NC(=O)N2CC3=CN=C(OCCN(C)C)C=C3)C(N)=N1
InChI
InChIKey=SSZHESNDOMBSRV-UHFFFAOYSA-N
InChI=1S/C19H28N8O2/c1-4-5-8-21-18-24-16(20)15-17(25-18)27(19(28)23-15)12-13-6-7-14(22-11-13)29-10-9-26(2)3/h6-7,11H,4-5,8-10,12H2,1-3H3,(H,23,28)(H3,20,21,24,25)
| Molecular Formula | C19H28N8O2 |
| Molecular Weight | 400.478 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/24390981
Sources: https://www.ncbi.nlm.nih.gov/pubmed/24390981
6-amino-2-(butylamino)-9-((6-(2-(dimethylamino)ethoxy)pyridin-3-yl)methyl)-7,9-dihydro-8H-purin-8-one (DSR-6434) is a small molecule toll-like receptor (TLR)-7 agonist, which didn’t have direct antitumor activity, but enhanced efficacy of ionizing radiation therapy in a model of colorectal carcinoma.
Originator
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL5936 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23265901 |
7.2 nM [EC50] |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Palliative | Unknown Approved UseUnknown |
PubMed
| Title | Date | PubMed |
|---|---|---|
| A novel systemically administered Toll-like receptor 7 agonist potentiates the effect of ionizing radiation in murine solid tumor models. | 2014-08-15 |
|
| Synthesis and evaluation of 8-oxoadenine derivatives as potent Toll-like receptor 7 agonists with high water solubility. | 2013-02-01 |
Patents
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/24390981
ALB/c mice wild type (WT) or knockout: received 0.1 mg/kg (i.v.) DSR-6434
Route of Administration:
Intravenous
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/24390981
NF-kB-driven reporter assay was performed in HEK293 cells engineered to express either hTLR7, TLR8 or TLR9, using a range of concentrations (0.001–10 uM) of DSR-6434. In this assay, successful binding of DSR-6434 to the specific receptor leads to NF-kB activation. DSR-6434 was capable of stimulating reporter gene activity only in HEK293 cells expressing hTLR7 (EC50 = 7.9 nM) and not in HEK293 cells expressing the structurally similar hTLR8 or hTLR9.
| Substance Class |
Chemical
Created
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8YBW739LJ0
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ACTIVE MOIETY |
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