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TC-AQP1-1

Alias: TC-AQP1-1TC-AQP 1-1TC-AQP-1-1
Cat No.:V15910 Purity: ≥98%
TC AQP1 1 (m-Phenylenediacrylic acid) is a potent AQP1 inhibitor.
TC-AQP1-1
TC-AQP1-1 Chemical Structure CAS No.: 37710-81-9
Product category: New12
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
TC AQP1 1 (m-Phenylenediacrylic acid) is a potent AQP1 inhibitor. TC AQP1 1 inhibits AQP1-mediated oocyte water flux with IC50 of 8 μM.
TC-AQP1-1 (m-Phenylenediacrylic acid) is a potent blocker of the aquaporin 1 (AQP1) channel identified by virtual screening. It has a molecular formula of C12H10O4, a molecular weight of 218.21 g/mol, and a CAS number of 37710-81-9. TC-AQP1-1 inhibits AQP1-mediated water flux in Xenopus laevis oocyte swelling assays at low micromolar concentrations.
Biological Activity I Assay Protocols (From Reference)
Targets
TC-AQP1-1 targets aquaporin 1 (AQP1), a water channel protein that facilitates rapid water transport across cell membranes. AQP1 is involved in various physiological processes including renal water reabsorption, cerebrospinal fluid production, and cell migration. By blocking the AQP1 channel, TC-AQP1-1 inhibits water flux through the channel, making it a valuable tool for studying AQP1 function.
ln Vitro
In vitro, TC-AQP1-1 inhibits AQP1-mediated water flux in Xenopus laevis oocytes with an IC50 of 8 μM. The compound acts as a potent AQP1 inhibitor. Its activity is assessed by measuring the inhibition of water transport through AQP1 channels expressed in oocytes or other heterologous expression systems.
ln Vivo
In vivo, TC-AQP1-1 has been used to study the role of AQP1 in various physiological and pathological processes. By inhibiting AQP1-mediated water transport, the compound can affect fluid homeostasis, cell migration, and angiogenesis. It is used as a research tool to investigate the function of AQP1 in health and disease.
Enzyme Assay
In vitro enzyme/receptor binding assays for TC-AQP1-1 measure its inhibition of AQP1-mediated water transport. Oocytes expressing human AQP1 are incubated with the compound, and water flux is measured by assessing oocyte swelling in hypotonic solutions. The IC50 of 8 μM is determined from dose-response curves. The compound's selectivity for AQP1 over other aquaporins can be assessed using similar assays.
Cell Assay
In vitro cell-based assays for TC-AQP1-1 use cells expressing AQP1, such as Xenopus laevis oocytes or mammalian cell lines. Cells are treated with serial dilutions of the compound, and water permeability is measured by monitoring cell volume changes in response to osmotic gradients. The IC50 for inhibition of AQP1-mediated water flux is calculated from dose-response curves.
Animal Protocol
In vivo animal models for TC-AQP1-1 include models of conditions involving AQP1, such as cerebral edema, renal disease, or angiogenesis. The compound is administered systemically or locally, and its effects on fluid balance, tissue water content, and disease progression are evaluated. Pharmacodynamic studies measure AQP1 inhibition in target tissues.
ADME/Pharmacokinetics
TC-AQP1-1 has a molecular formula of C12H10O4 and a molecular weight of 218.21 g/mol. It is soluble in DMSO at approximately 50 mg/mL (229.14 mM). For in vivo administration, it can be formulated in 10% DMSO + 90% Corn Oil at ≥2.5 mg/mL. The compound is stored as a powder at -20°C for up to 3 years.
Toxicity/Toxicokinetics
The toxicity profile of TC-AQP1-1 is characterized in preclinical studies. As an AQP1 inhibitor, the compound may affect water homeostasis in tissues expressing AQP1. The compound is for research use only and is not approved for clinical use. Appropriate safety precautions should be taken during handling.
References

[1]. Recent breakthroughs and future directions in drugging aquaporins. Trends Pharmacol Sci. 2022 Jan;43(1):30-42.

Additional Infomation
TC-AQP1-1 is also known as m-Phenylenediacrylic acid or m-Benzenediacrylic acid. It is a potent AQP1 inhibitor that inhibits AQP1-mediated water flux in oocytes with an IC50 of 8 μM. The compound was identified by virtual screening. It is intended for laboratory research use only and is not for human use.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C12H10O4
Molecular Weight
218.208
Exact Mass
218.058
Elemental Analysis
C, 66.05; H, 4.62; O, 29.33
CAS #
37710-81-9
PubChem CID
794091
Appearance
White to off-white solid powder
LogP
1.882
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Heavy Atom Count
16
Complexity
287
Defined Atom Stereocenter Count
0
SMILES
C1(/C=C/C(O)=O)C=CC=C(/C=C/C(O)=O)C=1
InChi Key
KRXUBZPHAPGHPE-YDFGWWAZSA-N
InChi Code
InChI=1S/C12H10O4/c13-11(14)6-4-9-2-1-3-10(8-9)5-7-12(15)16/h1-8H,(H,13,14)(H,15,16)/b6-4+,7-5+
Chemical Name
(E)-3-[3-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid
Synonyms
TC-AQP1-1TC-AQP 1-1TC-AQP-1-1
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO : ~50 mg/mL (~229.14 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.46 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 4.5827 mL 22.9137 mL 45.8274 mL
5 mM 0.9165 mL 4.5827 mL 9.1655 mL
10 mM 0.4583 mL 2.2914 mL 4.5827 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

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