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Resorcinolnaphthalein

Cat No.:V38204 Purity: ≥98%
Resorcinolnaphthalein is a specific ACE (angiotensin-converting enzyme) 2 (ACE2) activator, enhancing the activity of ACE2 with EC50 of 19.5 μM.
Resorcinolnaphthalein
Resorcinolnaphthalein Chemical Structure CAS No.: 41307-63-5
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
Resorcinolnaphthalein is a specific ACE (angiotensin-converting enzyme) 2 (ACE2) activator, enhancing the activity of ACE2 with EC50 of 19.5 μM. Resorcinolnaphthalein may be utilized to study hypertension and renal fibrosis
Resorcinolnaphthalein (CAS 41307-63-5) is a specific angiotensin-converting enzyme 2 (ACE2) activator (enhancer) that activates ACE2 activity with an EC50 of 19.5 μM. The molecular formula is C24H14O5 with a molecular weight of 382.365 g/mol. It is a synthetic organic dye belonging to the triarylmethane and naphthalein family of colorants. Resorcinolnaphthalein exerts cardioprotective and renoprotective properties and is involved in the AMPK/mTOR signaling pathway. It can be used for the investigation of hypertension and renal fibrosis.
Biological Activity I Assay Protocols (From Reference)
Targets
Resorcinolnaphthalein targets angiotensin-converting enzyme 2 (ACE2). It is a specific ACE2 activator (enhancer) that increases ACE2 activity with an EC50 of 19.5 μM. ACE2 is a key enzyme in the renin-angiotensin system (RAS) that counterbalances the effects of ACE by converting angiotensin II to angiotensin-(1-7), which has vasodilatory and anti-fibrotic effects. Activation of ACE2 produces a decrease in blood pressure and improvement in cardiac function.
ln Vitro
The ACE2 activity was boosted in a dose-dependent manner by XNT and resorcinol naphthalene (100 μM), with EC50 values of 20.1 μM and 19.5 μM, respectively [1]. One enzyme that successfully reduces structural remodeling and fibrosis is called ACE2. Increased ACE2 activity protects against hypertension-related pathology and benefits the cardiovascular system [1].
In vitro, Resorcinolnaphthalein activates ACE2 with an EC50 of 19.5 μM. It increases the activity of ACE2 in vitro, which leads to increased conversion of angiotensin II to angiotensin-(1-7). This activation is involved in the AMPK/mTOR signaling pathway. The compound also has various biological activities including anti-inflammatory, anti-cancer, and anti-bacterial properties. As a dye, it displays distinct color changes in acidic and alkaline environments due to its ionizable hydroxyl groups.
ln Vivo
In vivo, Resorcinolnaphthalein has been shown to produce a decrease in blood pressure and improvement in cardiac function in rats. Activation of ACE2 produces these cardiovascular benefits. The compound can be used for the investigation of hypertension and renal fibrosis. It exerts cardioprotective and renoprotective properties. In vivo studies would typically assess blood pressure, cardiac function, and renal function in relevant animal models.
Enzyme Assay
Non-cellular enzyme/receptor binding assay protocols for Resorcinolnaphthalein involve measuring ACE2 activity. ACE2 activity can be assessed using fluorogenic substrates such as Mca-APK(Dnp) or similar ACE2-specific substrates. The EC50 for ACE2 activation is 19.5 μM. Binding affinity studies can be performed using SPR or ITC. The compound's dye properties allow for spectroscopic analysis.
Cell Assay
Cellular assay protocols for Resorcinolnaphthalein involve treating cells with the compound. Cells expressing ACE2 are incubated with various concentrations of the compound. ACE2 activity is measured using fluorogenic substrates. Activation of the AMPK/mTOR signaling pathway can be assessed by western blot for phosphorylation of pathway components. Anti-inflammatory and anti-cancer effects can be evaluated in appropriate cell-based assays.
Animal Protocol
In vivo animal experiment protocols for Resorcinolnaphthalein typically involve administration to rodents. The compound can be given orally or by injection. Hypertension models (e.g., angiotensin II infusion or SHR rats) and renal fibrosis models are used for efficacy studies. Endpoints include blood pressure measurement, assessment of cardiac function, evaluation of renal function, and histological analysis of tissues. Pharmacodynamic markers such as ACE2 activity and angiotensin II levels are measured.
ADME/Pharmacokinetics
Pharmacokinetic properties of Resorcinolnaphthalein have not been extensively characterized. As a small molecule (MW 382.365 g/mol), it is expected to have reasonable oral bioavailability. The compound is a dye with ionizable hydroxyl groups, which may affect its absorption and distribution. Further PK studies would be needed to fully characterize its absorption, distribution, metabolism, and excretion profile.
Toxicity/Toxicokinetics
Toxicity of Resorcinolnaphthalein has not been extensively reported. As a research compound, standard toxicological evaluation would include acute and sub-chronic toxicity studies in rodents, genotoxicity testing, and cardiovascular safety assessments. The compound is for research use only and not for human therapeutic applications.
References

[1]. Structure-based identification of small-molecule angiotensin-converting enzyme 2 activators as novel antihypertensive agents.Hypertension. 2008 May;51(5):1312-7.

Additional Infomation
Resorcinolnaphthalein (CAS: 41307-63-5) has a molecular formula of C24H14O5 and a molecular weight of 382.365 g/mol. It is also known as NSC 354317. It is a specific angiotensin-converting enzyme 2 (ACE2) activator with an EC50 of 19.5 μM. It exerts cardioprotective and renoprotective properties and is involved in the AMPK/mTOR signaling pathway. It can be used for the investigation of hypertension and renal fibrosis. It is also a synthetic organic dye. This product is for research use only.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C24H14O5
Molecular Weight
382.36496
Exact Mass
382.084
CAS #
41307-63-5
PubChem CID
337218
Appearance
Light yellow to orange solid powder
Density
1.6±0.1 g/cm3
Boiling Point
688.4±55.0 °C at 760 mmHg
Flash Point
249.7±25.0 °C
Vapour Pressure
0.0±2.2 mmHg at 25°C
Index of Refraction
1.830
LogP
4.21
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
0
Heavy Atom Count
29
Complexity
638
Defined Atom Stereocenter Count
0
InChi Key
FTUOFHGOGJGQAB-UHFFFAOYSA-N
InChi Code
InChI=1S/C24H14O5/c25-14-7-9-17-20(11-14)28-21-12-15(26)8-10-18(21)24(17)19-6-2-4-13-3-1-5-16(22(13)19)23(27)29-24/h1-12,25-26H
Chemical Name
3',6'-dihydroxyspiro[3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-4,9'-xanthene]-2-one
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 : ~100 mg/mL (~261.53 mM)
Solubility (In Vivo)
Solubility in Formulation 1: 2.08 mg/mL (5.44 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.

Solubility in Formulation 2: 2.08 mg/mL (5.44 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.

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Solubility in Formulation 3: ≥ 2.08 mg/mL (5.44 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 20.8 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 2.6153 mL 13.0763 mL 26.1527 mL
5 mM 0.5231 mL 2.6153 mL 5.2305 mL
10 mM 0.2615 mL 1.3076 mL 2.6153 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.

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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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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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