| Identification | Back Directory | [Name]
CAIX Inhibitor S4 | [CAS]
1330061-67-0 | [Synonyms]
S4 >=98% (HPLC)
CAIX Inhibitor S4
4-[[[(3,5-Dimethylphenyl)amino]carbonyl]amino]phenyl sulfamate
Sulfamic acid, 4-[[[(3,5-dimethylphenyl)amino]carbonyl]amino]phenyl ester | [Molecular Formula]
C15H17N3O4S | [MDL Number]
MFCD30182321 | [MOL File]
1330061-67-0.mol | [Molecular Weight]
335.38 |
| Chemical Properties | Back Directory | [density ]
1.429±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO: 30 mg/ml | [form ]
A solid | [pka]
8.63±0.70(Predicted) | [color ]
White to off-white | [InChI]
InChI=1S/C15H17N3O4S/c1-10-7-11(2)9-13(8-10)18-15(19)17-12-3-5-14(6-4-12)22-23(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19) | [InChIKey]
HGVHSNXRZYOTPD-UHFFFAOYSA-N | [SMILES]
S(N)(OC1=CC=C(NC(NC2=CC(C)=CC(C)=C2)=O)C=C1)(=O)=O |
| Hazard Information | Back Directory | [Uses]
S4 is a sulfamate carbonic anhydrase IX (CAIX) inhibitor in colorectal carcinoma cell lines. | [Biological Activity]
S4 is a potent and selective inhibitor against sulfamate carbonic anhydrase (CA) subtypes CAIX & CAXII (Ki = 275465600 nM against human CA XIIIXIIand Irespectively). S4 selectively inhibits migration upon anoxia/hypoxia-induced CAIX expression in cancer cultures (% inhibition/conc./cell line = 54%/100 μM/WRO65%/33 μM/MDA-MB-231)while exhibiting no inhibitory effects under normoxia or among non-CAIX-expressing cells (HCT116 & RT112). Daily intraperitoneal injection (10 mg/kg) is reported to reduce the metastatic tumor burden in lungs of mice bearing orthotopic eGFP-MDA-MB-231 tumors in vivo. | [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.
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| [IC 50]
CA Ⅸ | [storage]
Store at -20°C |
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