CAIX Inhibitor S4

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MedKoo CAT#: 462420

CAS#: 1330061-67-0

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.

Chemical Structure

CAIX Inhibitor S4
CAS# 1330061-67-0

Theoretical Analysis

MedKoo Cat#: 462420
Name: CAIX Inhibitor S4
CAS#: 1330061-67-0
Chemical Formula: C15H17N3O4S
Exact Mass: 335.094
Molecular Weight: 335.378
Elemental Analysis: C, 53.72; H, 5.11; N, 12.53; O, 19.08; S, 9.56

Price and Availability

Size Price Availability Quantity
100.0mg USD 950.0 2 Weeks
200.0mg USD 1650.0 2 Weeks
500.0mg USD 3250.0 2 Weeks
1.0g USD 4650.0 2 Weeks
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Synonym: CAIX Inhibitor S4

IUPAC/Chemical Name: 4-(3-(3,5-dimethylphenyl)ureido)phenyl sulfamate


InChi Code: 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)

SMILES Code: O=S(OC[5]=CC=C(NC(NC[16]=CC(C)=CC(C)=C@16)=O)C=C@6)(N)=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: 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.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 335.378 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Gieling, R.G., Babur, M., Mamnani, L., et al. Antimetastatic effect of sulfamate carbonic anhydrase IX inhibitors in breast carcinoma xenografts. J. Med. Chem. 55(11), 5591-5600 (2012).