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
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	Research Areas >> Cancer Signaling Pathways >> Metabolic Enzyme/Protease >> Carbonic Anhydrase
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	[1]. Gieling RG, et, al. Antimetastatic effect of sulfamate carbonic anhydrase IX inhibitors in breast carcinoma xenografts. J Med Chem. 2012 Jun 14;55(11):5591-600.

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

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