SML2031
S4
≥98% (HPLC)
Synonym(s):
4-(3′-(3″,5″-Dimethylphenyl)ureido)phenyl sulfamate, 4-[(3,5-Dimethylphenyl)ureido]phenyl sulfamate, 4-[[[(3,5-Dimethylphenyl)amino]carbonyl]amino]phenyl sulfamic acid ester
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About This Item
Empirical Formula (Hill Notation):
C15H17N3O4S
CAS Number:
Molecular Weight:
335.38
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
Assay:
≥98% (HPLC)
Form:
powder
assay
≥98% (HPLC)
form
powder
color
white to beige
solubility
DMSO: 2 mg/mL, clear
shipped in
ambient
storage temp.
2-8°C
SMILES string
O=S(OC1=CC=C(NC(NC2=CC(C)=CC(C)=C2)=O)C=C1)(N)=O
InChI key
HGVHSNXRZYOTPD-UHFFFAOYSA-N
Biochem/physiol Actions
S4 is a potent and selective inhibitor against sulfamate carbonic anhydrase (CA) subtypes CAIX & CAXII (Ki = 2, 7, 546, 5600 nM against human CA XII, IX, II, and I, respectively). S4 selectively inhibits migration upon anoxia/hypoxia-induced CAIX expression in cancer cultures (% inhibition/conc./cell line = 54%/100 μM/WRO, 65%/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.
Sulfamate carbonic anhydrase IX & XII (CAIX & CAXII) inhibitor
Storage Class
11 - Combustible Solids
WGK
WGK 3
Flash Point (°F)
Not applicable
Flash Point (°C)
Not applicable
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