Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C18H16F3N3O2S |
| Molecular Weight | 395.399 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC=C(C)C(=C1)C2=CC(=NN2C3=CC=C(C=C3)S(N)(=O)=O)C(F)(F)F
InChI
InChIKey=NTFOSUUWGCDXEF-UHFFFAOYSA-N
InChI=1S/C18H16F3N3O2S/c1-11-3-4-12(2)15(9-11)16-10-17(18(19,20)21)23-24(16)13-5-7-14(8-6-13)27(22,25)26/h3-10H,1-2H3,(H2,22,25,26)
DescriptionCurator's Comment: description was created based on several sources, including:
https://www.ncbi.nlm.nih.gov/pubmed/21964407 | https://www.ncbi.nlm.nih.gov/pubmed/14973075 | https://www.ncbi.nlm.nih.gov/pubmed/27761963
Curator's Comment: description was created based on several sources, including:
https://www.ncbi.nlm.nih.gov/pubmed/21964407 | https://www.ncbi.nlm.nih.gov/pubmed/14973075 | https://www.ncbi.nlm.nih.gov/pubmed/27761963
2,5-dimethyl-celecoxib, also known as DMC, is celecoxib analog that lacks COX-2 inhibitory activity but exhibits anti-tumor properties. DMC demonstrated its ability to inhibit xenograft tumor growth through the inhibition of Akt activation. The central mechanism for the anticancer effect of DMC is the suppression of the Wnt/β-catenin signaling pathway. DMS is a synthetic opener of KV7 channels in smooth muscle cells.
Originator
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL2534 |
38.0 µM [IC50] | ||
Target ID: CHEMBL4282 |
20.0 µM [IC50] | ||
Target ID: CHEMBL2363063 |
|||
Target ID: map04310 |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Primary | Unknown Approved UseUnknown |
|||
| Primary | Unknown Approved UseUnknown |
|||
| Preventing | Unknown Approved UseUnknown |
PubMed
| Title | Date | PubMed |
|---|---|---|
| Dimethyl-celecoxib (DMC), a derivative of celecoxib that lacks cyclooxygenase-2-inhibitory function, potently mimics the anti-tumor effects of celecoxib on Burkitt's lymphoma in vitro and in vivo. | 2005-05 |
|
| 3-phosphoinositide-dependent protein kinase-1/Akt signaling represents a major cyclooxygenase-2-independent target for celecoxib in prostate cancer cells. | 2004-02-15 |
|
| Using cyclooxygenase-2 inhibitors as molecular platforms to develop a new class of apoptosis-inducing agents. | 2002-12-04 |
Patents
Sample Use Guides
| Name | Type | Language | ||
|---|---|---|---|---|
|
Preferred Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
STL56MF6TH
Created by
admin on Wed Apr 02 17:47:36 GMT 2025 , Edited by admin on Wed Apr 02 17:47:36 GMT 2025
|
PRIMARY | |||
|
DTXSID00196614
Created by
admin on Wed Apr 02 17:47:36 GMT 2025 , Edited by admin on Wed Apr 02 17:47:36 GMT 2025
|
PRIMARY | |||
|
457639-26-8
Created by
admin on Wed Apr 02 17:47:36 GMT 2025 , Edited by admin on Wed Apr 02 17:47:36 GMT 2025
|
PRIMARY | |||
|
11545682
Created by
admin on Wed Apr 02 17:47:36 GMT 2025 , Edited by admin on Wed Apr 02 17:47:36 GMT 2025
|
PRIMARY |
SUBSTANCE RECORD
