4-Chloro-3-sulfamoylbenzoic acid

Name: 4-Chloro-3-sulfamoylbenzoic acid
Brand: MedChemExpress
SKU: HY-W012168
Rating: 4.5 (0 reviews)

Cat. No.: HY-W012168 Purity: 99.85%: Data Sheet
COA

SDS
Handling Instructions
FAQs
Technical Support

4-Chloro-3-sulfamoylbenzoic acid is a weak inhibitor of human carbonic anhydrase isoforms hCA I, hCA II, hCA IV, and hCA IX, and a synthesis intermediate for carbonic anhydrase inhibitors. 4-Chloro-3-sulfamoylbenzoic acid is the major metabolite of tripamide detected in tissues, urine, and feces of rats and rabbits following Tripamide (HY-106570) administration. 4-Chloro-3-sulfamoylbenzoic acid can be used for the study of carbonic anhydrase inhibition and species differences in drug metabolism.

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

4-Chloro-3-sulfamoylbenzoic acid Chemical Structure

CAS No. : 1205-30-7

Size	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	In-stock	Estimated Time of Arrival: December 31
Solid
25 g	In-stock	Estimated Time of Arrival: December 31
50 g	In-stock	Estimated Time of Arrival: December 31
100 g	In-stock	Estimated Time of Arrival: December 31
> 100 g	Get quote

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•Related Screening Libraries:

•Related Small Molecules:

•Related Proteins:

View All Carbonic Anhydrase Isoform Specific Products:

View All Isoforms

CA CA I CA Ⅱ CA IX CA XII CA VII CA VI CA VA CA VB CA XIII CA XIV

Biological Activity
Purity & Documentation
References
Customer Review

Description

IC₅₀ & Target^[1]

hCA I

8847 nM (Ki)

hCA II

1382 nM (Ki)

hCA IX

8976 nM (Ki)

In Vitro

4-Chloro-3-sulfamoylbenzoic acid (3b) (0.01 nM-10 μM; 10 min preincubation) inhibits recombinant human hCA I (K_i = 5750 nM), hCA II (K_i = 760.0 nM), hCA IV (K_i = 957.5 nM), and hCA IX (K_i = 9570 nM) in a cell-free biochemical assay^[1].

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

In Vivo

¹⁴C-4-Chloro-3-sulfamoylbenzoic acid (¹⁴C-CSBA) (0.52 mg/kg; i.v.; single dose) has a blood half-life of 65 minutes in male Wistar rats, with 20% of the dose excreted in urine within 8 hours^[2].
¹⁴C-4-Chloro-3-sulfamoylbenzoic acid (0.24 mg/kg; i.v.; single dose) has biphasic blood half-lives of 1.7 and 49.3 minutes in male New Zealand White rabbits, with nearly complete urinary excretion (100% of dose) within 8 hours^[2].
4-Chloro-3-sulfamoylbenzoic acid (p.o.; single dose) is the dominant metabolite after a single oral administration of Tripamide (HY-106570) in male Wistar rats and male New Zealand White rabbits^[2].
4-Chloro-3-sulfamoylbenzoic acid (p.o.; single dose; 24 hours) is excreted 10.1% in urine and 5.6% in feces in male Wistar rats, and at 40.2% of the dose in urine and 0.5% in feces in male New Zealand White rabbits over 24 hours after oral [¹⁴C]tripamide administration^[2].

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

Molecular Weight

235.64

Formula

C₇H₆ClNO₄S

CAS No.

1205-30-7

Appearance

Solid

Color

White to off-white

SMILES

ClC1=C(S(N)(=O)=O)C=C(C(O)=O)C=C1

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Store at room temperature 3 years

In solvent	-80°C	2 years
	-20°C	1 year

Solvent & Solubility

In Vitro:

DMSO : 50 mg/mL (212.19 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	4.2438 mL	21.2188 mL	42.4376 mL
5 mM	0.8488 mL	4.2438 mL	8.4875 mL
10 mM	0.4244 mL	2.1219 mL	4.2438 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, 1 year; -20°C, 6 months. When stored at -80°C, please use it within 1 year. When stored at -20°C, please use it within 6 months.

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:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 5 mg/mL (21.22 mM); Clear solution

This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Protocol 2

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 5 mg/mL (21.22 mM); Clear solution

This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

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

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 99.85%

Select Batch:

Data Sheet (275 KB) SDS (393 KB)

COA (250 KB) HNMR (112 KB) RP-HPLC (241 KB)

Handling Instructions (2659 KB)

References

[1]. Swain B, et al. Synthesis of a new series of 3-functionalised-1-phenyl-1,2,3-triazole sulfamoylbenzamides as carbonic anhydrase I, II, IV and IX inhibitors. J Enzyme Inhib Med Chem. 2019;34(1):1199-1209. [Content Brief]

[2]. Horie T, et al. Studies on metabolism of tripamide. III. Metabolic fate of 14C-tripamide in rats and rabbits. Jpn J Pharmacol. 1982;32(6):1041-1049.

Complete Stock Solution Preparation Table

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

DMSO	1 mM	4.2438 mL	21.2188 mL	42.4376 mL	106.0940 mL
	5 mM	0.8488 mL	4.2438 mL	8.4875 mL	21.2188 mL
	10 mM	0.4244 mL	2.1219 mL	4.2438 mL	10.6094 mL
	15 mM	0.2829 mL	1.4146 mL	2.8292 mL	7.0729 mL
	20 mM	0.2122 mL	1.0609 mL	2.1219 mL	5.3047 mL
	25 mM	0.1698 mL	0.8488 mL	1.6975 mL	4.2438 mL
	30 mM	0.1415 mL	0.7073 mL	1.4146 mL	3.5365 mL
	40 mM	0.1061 mL	0.5305 mL	1.0609 mL	2.6524 mL
	50 mM	0.0849 mL	0.4244 mL	0.8488 mL	2.1219 mL
	60 mM	0.0707 mL	0.3536 mL	0.7073 mL	1.7682 mL
	80 mM	0.0530 mL	0.2652 mL	0.5305 mL	1.3262 mL
	100 mM	0.0424 mL	0.2122 mL	0.4244 mL	1.0609 mL