1330061-67-0
1330061-67-0 structure
- Name: S4
- Chemical Name: CAIX Inhibitor S4
- CAS Number: 1330061-67-0
- Molecular Formula: C15H17N3O4S
- Molecular Weight: 335.378
- Catalog: Signaling Pathways Metabolic Enzyme/Protease Carbonic Anhydrase
- Create Date: 2021-06-13 18:55:41
- Modify Date: 2024-01-12 16:48:23
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CAIX Inhibitor S4 is a potent and selective inhibitor of carbonic anhydrase IX/XII (CA IX/XII), with a Ki of 7 nM and 2 nM, respectively. CAIX Inhibitor S4 also inhibits CA II and CA I (Ki=546 and 5600 nM, respectively). CAIX Inhibitor S4 can inhibit the number of lung metastasis in orthotopic MDA-MB-231 mouse model without affecting primary tumor growth[1].
| Name | CAIX Inhibitor S4 |
|---|---|
| Synonyms |
MFCD30182321
S4 Sulfamic acid, 4-[[[(3,5-dimethylphenyl)amino]carbonyl]amino]phenyl ester 4-(3'-(3",5"-Dimethylphenyl)ureido)phenyl sulfamate 4-{[(3,5-Dimethylphenyl)carbamoyl]amino}phenyl sulfamate 4-[(3,5-Dimethylphenyl)ureido]phenyl sulfamate CAIX Inhibitor S4 4-[[[(3,5-Dimethylphenyl)amino]carbonyl]amino]phenyl sulfamic acid ester |
| Description | CAIX Inhibitor S4 is a potent and selective inhibitor of carbonic anhydrase IX/XII (CA IX/XII), with a Ki of 7 nM and 2 nM, respectively. CAIX Inhibitor S4 also inhibits CA II and CA I (Ki=546 and 5600 nM, respectively). CAIX Inhibitor S4 can inhibit the number of lung metastasis in orthotopic MDA-MB-231 mouse model without affecting primary tumor growth[1]. |
|---|---|
| Related Catalog | |
| Target |
Ki: 2 nM (CA XII), 7 nM (CA IX), 546 nM (CA II), 5600 nM (CA I)[1] |
| In Vitro | CAIX Inhibitor S4 (1-100 μM; 24 h) inhibits the proliferation of MDA-MB-231, HCT116 and HT29 cells in a dose-dependent manner[1]. CAIX Inhibitor S4 (3.3-33 μM; 24 h) inhibits the eGFP-MDA-MB-231 cell migration in anoxia in a concentration- dependent manner[1]. CAIX Inhibitor S4 (33 μM; 15-60 min) delays the cell spreading of MDA-MB-231 cells in anoxia but essentially not in normoxia[1]. Cell Proliferation Assay[1] Cell Line: MDA-MB-231, HCT116 and HT29 cells Concentration: 1, 10, 100 μM Incubation Time: 24 hours Result: Inhibited the cell proliferation of MDA-MB-231, HCT116 and HT29 cells, with IC50s of 481 μM, >1000 μM, and 20 μM, respectively. |
| In Vivo | CAIX Inhibitor S4 (10 mg/kg; i.p. for 14 days) inhibits metastatic tumor burden in MDA-MB-231 model while having no effect on primary tumor growth or mouse condition[1]. Animal Model: Female nu/nu CBA mice (10-12 weeks) were injected with eGFP-MDA-MB-231 cells[1] Dosage: 10 mg/kg Administration: I.p. daily on a “5 days on, 2 days off” dosing regimen for 14 days Result: Significantly reduced the metastatic tumor burden in lungs of mice bearing orthotopic eGFP-MDA-MB-231 tumors. The average body weights between vehicle and S4 treated mice were similar throughout the experiments. |
| References |
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Molecular Formula | C15H17N3O4S |
| Molecular Weight | 335.378 |
| Exact Mass | 335.093964 |
| LogP | 2.51 |
| Index of Refraction | 1.663 |