Specification
Description
CAIX Inhibitor S4 is an inhibitor of carbonic anhydrase IX. It is selective for CAIX over CAI and CAII but does inhibit CAXII. It reduced the number of lung metastases, but not primary tumor growth, in an MDA-MB-231 mouse xenograft model.
IUPAC Name
4-(3-(3,5-dimethylphenyl)ureido)phenyl sulfamate
Canonical SMILES
O=S(OC[5]=CC=C(NC(NC[16]=CC(C)=CC(C)=C@16)=O)C=C@6)(N)=O
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)
InChI Key
HGVHSNXRZYOTPD-UHFFFAOYSA-N
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Storage
Dry, dark and at 0-4 °C for short term (days to weeks) or -20 °C for long term (months to years).
Drug Formulation
This drug may be formulated in DMSO
Elemental Analysis
C, 53.72; H, 5.11; N, 12.53; O, 19.08; S, 9.56
HS Tariff Code
2934.99.9001
Shipping
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Stock Solution Storage
0-4 °C for short term (days to weeks), or -20 °C for long term (months).