Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C16H13FN2O2S |
| Molecular Weight | 316.35 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC=C(C=C1)N2SC(=O)N(CC3=CC=C(F)C=C3)C2=O
InChI
InChIKey=QUIIIYITNGOFEI-UHFFFAOYSA-N
InChI=1S/C16H13FN2O2S/c1-11-2-8-14(9-3-11)19-15(20)18(16(21)22-19)10-12-4-6-13(17)7-5-12/h2-9H,10H2,1H3
| Molecular Formula | C16H13FN2O2S |
| Molecular Weight | 316.35 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
CCG-50014 is the potent small molecule RGS inhibitor. It is several hundred-fold selective for RGS4 over other RGS proteins. CCG-50014 binds covalently to the RGS, forming an adduct on two cysteine residues located in an allosteric regulatory site. CCG50014, is likely to enhance the [D-Ala²,N-MePhe⁴,Gly-ol]-enkephalin-mediated analgesic effect by removing RGS4-mediated inhibition of opioid receptors (ORs) and by preventing OR internalization in the spinal cord. The inhibition of RGS4 activity can enhance OR agonist-induced analgesia.
Originator
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL1795091 |
30.0 nM [IC50] | ||
Target ID: O70521 Gene ID: 59293.0 Gene Symbol: Rgs19 Target Organism: Rattus norvegicus (Rat) |
120.0 nM [IC50] | ||
Target ID: O15492 Gene ID: 6004.0 Gene Symbol: RGS16 Target Organism: Homo sapiens (Human) |
3.5 µM [IC50] |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Primary | Unknown Approved UseUnknown |
PubMed
| Title | Date | PubMed |
|---|---|---|
| RGS4 regulates partial agonism of the M2 muscarinic receptor-activated K+ currents. | 2014-03-15 |
|
| Conformational dynamics of a regulator of G-protein signaling protein reveals a mechanism of allosteric inhibition by a small molecule. | 2013-12-20 |
|
| Inhibition of mycobacterial alanine racemase activity and growth by thiadiazolidinones. | 2013-07-15 |
|
| A nanomolar-potency small molecule inhibitor of regulator of G-protein signaling proteins. | 2011-04-19 |
|
| Polyplexed flow cytometry protein interaction assay: a novel high-throughput screening paradigm for RGS protein inhibitors. | 2009-07 |
Sample Use Guides
CCG-50014 inhibited the Galpha-o-dependent membrane translocation of GFP-RGS4 in living HEK-293T cells. Treatment of cells that were transiently transfected with GFP-RGS4 and Galpha-o with vehicle [0.1% DMSO] does not alter the membrane localization of RGS4; however, 100 uM CCG-50014 reversed the membrane
localization of the RGS.
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 21:38:09 GMT 2025
by
admin
on
Mon Mar 31 21:38:09 GMT 2025
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| Record UNII |
RA72G28VE9
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| Record Status |
Validated (UNII)
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| Record Version |
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RA72G28VE9
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DTXSID30236951
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admin on Mon Mar 31 21:38:09 GMT 2025 , Edited by admin on Mon Mar 31 21:38:09 GMT 2025
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