Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C25H34N4O5S |
| Molecular Weight | 502.626 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC(C)=C(C(C)=C1)S(=O)(=O)N(C)CCOCC(=O)N(C)CC2=CC=C(C=C2)C3=NCCN3
InChI
InChIKey=AMTQCENHQIDBHQ-UHFFFAOYSA-N
InChI=1S/C25H34N4O5S/c1-18-14-22(33-5)15-19(2)24(18)35(31,32)29(4)12-13-34-17-23(30)28(3)16-20-6-8-21(9-7-20)25-26-10-11-27-25/h6-9,14-15H,10-13,16-17H2,1-5H3,(H,26,27)
| Molecular Formula | C25H34N4O5S |
| Molecular Weight | 502.626 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Safotibant (previously known as LF22-0542) was developed as an antagonist at bradykinin B1 receptor for the topical treatment of diabetic macular edema. This drug participated in phase II clinical trials in Australia, in Belgium and in the Czech Republic. However, further, development was discontinued.
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Antinociceptive pharmacology of N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2-[2-[[(4-methoxy-2,6-dimethylphenyl) sulfonyl]methylamino]ethoxy]-N-methylacetamide, fumarate (LF22-0542), a novel nonpeptidic bradykinin B1 receptor antagonist. | 2006 Jul |
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| Role of kinin B1 and B2 receptors in a rat model of neuropathic pain. | 2008 Feb |
|
| Ocular application of the kinin B1 receptor antagonist LF22-0542 inhibits retinal inflammation and oxidative stress in streptozotocin-diabetic rats. | 2012 |
Patents
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 21:16:39 GMT 2023
by
admin
on
Fri Dec 15 21:16:39 GMT 2023
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| Record UNII |
02HU8HWP7U
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| Record Status |
Validated (UNII)
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NCI_THESAURUS |
C257
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C152283
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300000034400
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11953367
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DTXSID20212769
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9479
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CHEMBL1254771
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Safotibant
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02HU8HWP7U
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633698-99-4
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| Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT |
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TARGET -> INHIBITOR |
Ki
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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