Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C19H25N5OS2.ClH |
| Molecular Weight | 440.026 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CC(C)C[C@H](CO)NC1=C2SC(N)=NC2=NC(S[C@@H](C)C3=CC=CC=C3)=N1
InChI
InChIKey=GFQYJRJBXIGDLW-DSHXVJGRSA-N
InChI=1S/C19H25N5OS2.ClH/c1-11(2)9-14(10-25)21-16-15-17(22-18(20)27-15)24-19(23-16)26-12(3)13-7-5-4-6-8-13;/h4-8,11-12,14,25H,9-10H2,1-3H3,(H3,20,21,22,23,24);1H/t12-,14+;/m0./s1
| Molecular Formula | C19H25N5OS2 |
| Molecular Weight | 403.565 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
DescriptionCurator's Comment: description was created based on several sources, including:
https://www.ncbi.nlm.nih.gov/pubmed/24706865 | https://www.ncbi.nlm.nih.gov/pubmed/26656484 | http://www.kancera.com/en/Press/Press-releases/Press-release/?releaseid=1046815
Curator's Comment: description was created based on several sources, including:
https://www.ncbi.nlm.nih.gov/pubmed/24706865 | https://www.ncbi.nlm.nih.gov/pubmed/26656484 | http://www.kancera.com/en/Press/Press-releases/Press-release/?releaseid=1046815
CX3CR1 antagonist 18a (AZD8797) is the first potent selective and orally available CX3CR1 allosteric antagonist. AZD8797 is able to non-competitively displace and block CX3CL1 from binding CX3CR1 through an allosteric binding mechanism of action. AZD8797 effects G-protein signaling and β-arrestin recruitment in a biased way. Starting treatment with AZD8797 either before or after onset of disease reduced the clinical symptoms and pathological signs of experimental autoimmune encephalomyelitis (EAE) (the model of multiple sclerosis) in a concentration-dependent manner. CX3CR1 (Fractalkine) signaling probably contributes to the growth and spread of tumors and the pain that often affects cancer patients. Kancera will now evaluate how efficiently the Fractalkine inhibitor AZD8797 may stop tumor growth and relieve severe pain.
Originator
Approval Year
Sample Use Guides
2 × 14 days (78 uM/kg per day)
Route of Administration:
Other
Mimicking physiological flow, it was monitored the adhesion of RPMI-8226 cells, a human B-lymphocyte cell line endogenously expressing human CX3CR1 and hWB leucocytes to human full-length CX3CL1. AZD8797 prevented the capture of RPMI-8226 cells with an IC50 of 5.8 nM (4.1–8.2 nM, 95% CL, n = 3) and human blood leucocytes with an IC50 of 330 nM (280–380 nM, 95% CL, n = 2).
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 19:47:39 GMT 2025
by
admin
on
Wed Apr 02 19:47:39 GMT 2025
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| Record UNII |
TYJ65L5BK6
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| Record Status |
Validated (UNII)
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1429127-84-3
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156755321
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TYJ65L5BK6
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admin on Wed Apr 02 19:47:39 GMT 2025 , Edited by admin on Wed Apr 02 19:47:39 GMT 2025
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