CAIX Inhibitor S4

Name: CAIX Inhibitor S4
Brand: MedChemExpress
SKU: HY-110243
Rating: 4.5 (1 reviews)

Cat. No.: HY-110243 Purity: 98.90%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

CAIX Inhibitor S4 is a potent and selective inhibitor of carbonic anhydrase IX/XII (CA IX/XII), with a K_i of 7 nM and 2 nM, respectively. CAIX Inhibitor S4 also inhibits CA II and CA I (K_i=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.

For research use only. We do not sell to patients.

CAIX Inhibitor S4 Chemical Structure

CAS No. : 1330061-67-0

Size	Price	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 77	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 77	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	USD 70	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 120	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 250	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 450	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 750	In-stock	Estimated Time of Arrival: December 31
200 mg		Get quote
500 mg		Get quote

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Customer Review

Based on 1 publication(s) in Google Scholar

1 Publications Citing Use of MCE CAIX Inhibitor S4

•bioRxiv. 2023 Sep 8.

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CA CA I CA Ⅱ CA Ⅸ CA XII

Biological Activity
Purity & Documentation
References
Customer Review

Description

IC₅₀ & Target

CA Ⅸ

Cellular Effect

Cell Line	Type	Value	Description	References
HCT-116	IC₅₀	> 1000 μM Compound: 9A, S4	Cytotoxicity against human HCT116 cells preincubated for 24 hrs followed by compound washout measured after 96 hrs by MTT assay Cytotoxicity against human HCT116 cells preincubated for 24 hrs followed by compound washout measured after 96 hrs by MTT assay	[PMID: 22621623]
HT-29	IC₅₀	20 μM Compound: 9A, S4	Cytotoxicity against human HT-29 cells preincubated for 24 hrs followed by compound washout measured after 96 hrs by MTT assay Cytotoxicity against human HT-29 cells preincubated for 24 hrs followed by compound washout measured after 96 hrs by MTT assay	[PMID: 22621623]
MDA-MB-231	IC₅₀	481 μM Compound: 9A, S4	Cytotoxicity against EGFP tagged human MDA-MB-231 cells expressing CA9 preincubated for 24 hrs followed by compound washout measured after 96 hrs by MTT assay Cytotoxicity against EGFP tagged human MDA-MB-231 cells expressing CA9 preincubated for 24 hrs followed by compound washout measured after 96 hrs by MTT assay	[PMID: 22621623]

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].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

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].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

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.

Molecular Weight

335.38

Formula

C₁₅H₁₇N₃O₄S

CAS No.

1330061-67-0

Appearance

Solid

Color

White to off-white

SMILES

O=C(NC1=CC(C)=CC(C)=C1)NC2=CC=C(C=C2)OS(=O)(N)=O

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 250 mg/mL (745.42 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	2.9817 mL	14.9085 mL	29.8169 mL
5 mM	0.5963 mL	2.9817 mL	5.9634 mL
10 mM	0.2982 mL	1.4908 mL	2.9817 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

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μL

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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Calculation results:

Working solution concentration: mg/mL

Purity & Documentation

Purity: 98.90%

Select Batch:

Data Sheet (272 KB) SDS (251 KB)

COA (245 KB) HNMR (242 KB) LCMS (258 KB)

Handling Instructions (2659 KB)

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. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	2.9817 mL	14.9085 mL	29.8169 mL	74.5423 mL
	5 mM	0.5963 mL	2.9817 mL	5.9634 mL	14.9085 mL
	10 mM	0.2982 mL	1.4908 mL	2.9817 mL	7.4542 mL
	15 mM	0.1988 mL	0.9939 mL	1.9878 mL	4.9695 mL
	20 mM	0.1491 mL	0.7454 mL	1.4908 mL	3.7271 mL
	25 mM	0.1193 mL	0.5963 mL	1.1927 mL	2.9817 mL
	30 mM	0.0994 mL	0.4969 mL	0.9939 mL	2.4847 mL
	40 mM	0.0745 mL	0.3727 mL	0.7454 mL	1.8636 mL
	50 mM	0.0596 mL	0.2982 mL	0.5963 mL	1.4908 mL
	60 mM	0.0497 mL	0.2485 mL	0.4969 mL	1.2424 mL
	80 mM	0.0373 mL	0.1864 mL	0.3727 mL	0.9318 mL
	100 mM	0.0298 mL	0.1491 mL	0.2982 mL	0.7454 mL