Tolvaptan (OPC-41061)

Alias: OPC41061; Tolvaptan; OPC 41061; OPC-41061; trade names Samsca; Jinarc; Resodim

Cat No.:V1485 Purity: ≥98%

COA Product Data Instructions for use SDS

Tolvaptan (OPC-41061) Chemical Structure CAS No.: 150683-30-0
Product category: Vasopressin Receptor

This product is for research use only, not for human use. We do not sell to patients.

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1-708-310-1919 sales@invivochem.com

Other Forms of Tolvaptan (OPC-41061):

Tolvaptan-d7 (Tolvaptan d7)

Official Supplier of:

Top Publications Citing lnvivochem Products

Nature 2021, 597(7874):119-125.

Cell 2020,183:1202-1218.e25.

Science Adv 2022: 8, eabm9427.

Nature 597, 119–125 (2021)

Cell Stem Cell 2020,26(6):845-861.e12.

Science Trans Med 2023,15(701):eadd7872.

STTT 2023,8(1):91.

Cell Reports 2023,42(4):112313

Science Trans Med 2023, 15: eadd7872.

Cancer Cell 2021,39(4):529-547.e7.

Cancer Discov 2022,12(4):1106-1127.

Immunity 2023,56(3):620-634.e11.

J Am Chem Soc 2022,144:21831-21836.

Cell 2020,183:1202-1218.e25.

Science Adv 2022:8,eabm9427.

Nature 2021,597(7874):119-125.

Cell 2020,183:1202-1218.e25.

PNAS Nexus 2022,1(3):pgac063.

ACS Nano 2023,17(10):9110-9125.

Biomaterial 2023 Sep16:302:122333.

Purity & Quality Control Documentation

Current batch：

Purity: ≥98%

COA

MSDS

NMR

Instructions

Product Description
Bioactivity & Protocols
Physicochemical Properties
Solubility Data
Calculators
Clinical Trial Information
Biological Data

Product Description

Tolvaptan (formerly OPC41061; OPC-41061; trade names Samsca; Jinarc; Resodim) is a selective, competitive, orally bioavailable and nonpeptide antagonist of arginine vasopressin V2 receptor with anti-hypernatremic activity. It inhibits the arginine vasopressin V2 receptor with an IC50 of 3 nM. The use of tolvaptan to treat hyponatremia has been approved. Vasopressin receptor 2 antagonists such as tolvaptan are used to treat hyponatremia, or low blood sodium levels, which is linked to cirrhosis, congestive heart failure, and the syndrome of inappropriate antidiuretic hormone (SIADH).

Biological Activity I Assay Protocols (From Reference)

Targets

vasopressin receptor 2 ( IC50 = 3 nM )

ln Vitro

In vitro activity: Tolvaptan did not inhibit V(1b) receptors, but it did block the binding of [(3)H]AVP to human V(2) receptors with 29-fold higher selectivity than that of V(1a) receptors. In human V(2)-receptor-expressing HeLa cells, tolvaptan inhibits both the binding of [(3)H]AVP and the AVP-induced cyclic AMP production. In both healthy and sick animals, tolvaptan exhibits pronounced aquaresis.[1] Tolvaptan inhibits the production of cAMP induced by arginine vasopressin in a concentration-dependent manner, with an apparent IC(50) of 0.1 nM in autosomal dominant polycystic kidney disease (ADPKD) cells. Tolvaptan prevents cell division and ERK signaling that is triggered by AVP. Tolvaptan inhibits the release of Cl(-) when exposed to AVP and reduces the formation of cysts in vitro in ADPKD cells grown in a three-dimensional collagen matrix.[2]

ln Vivo

Tolvaptan improves both organ water retention and hyponatremia, preventing death in rat models with acute and chronic hyponatremia. In dogs with heart failure (HF), tolvaptan lowers cardiac preload without negatively affecting circulating neurohormones, systemic hemodynamics, or kidney function. In animal models of human polycystic kidney disease (PKD), tolvaptan has been shown to reduce kidney weight as well as cyst and fibrosis volume.[1] In heart failure-stricken rats, tolvaptan significantly increases urinary arginine vasopressin (AVP) excretion and electrolyte-free water clearance (E-CH(2)O) or aquaresis to a positive value.[3]

Cell Assay

Cell Line: HepG2 cells
Concentration: 0-100 μM
Incubation Time: 24, 48, 96 and 168 hours
Result: Time- and dose-dependently inhibited HepG2 cells with IC50s of ＞100, 52.2, 33.0 and 27.1 μM at 24, 48, 96 and 168 hours, respectively.

Animal Protocol

Male albino rats with cyclophosphamide intraperitoneal injection
10 mg/kg
Oral gavage; 10 mg/kg once per day; for 22 days

References

[1]. Cardiovasc Drug Rev . 2007 Spring;25(1):1-13.

[2]. Am J Physiol Renal Physiol . 2011 Nov;301(5):F1005-13.

[3]. Biochem Pharmacol . 2008 Mar 15;75(6):1322-30.

These protocols are for reference only. InvivoChem does not independently validate these methods.

Physicochemical Properties

Molecular Formula	C26H25CLN2O3
Molecular Weight	448.94
Exact Mass	448.16
Elemental Analysis	C, 69.56; H, 5.61; Cl, 7.90; N, 6.24; O, 10.69
CAS #	150683-30-0
Related CAS #	Tolvaptan-d7; 1246818-18-7
Appearance	Solid powder
SMILES	N-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide
InChi Key	GYHCTFXIZSNGJT-UHFFFAOYSA-N
InChi Code	InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)
Chemical Name	N-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide
Synonyms	OPC41061; Tolvaptan; OPC 41061; OPC-41061; trade names Samsca; Jinarc; Resodim
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: ~90 mg/mL (~200.5 mM)

Water: <1 mg/mL

Ethanol: ~6 mg/mL (~13.4 mM)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.2275 mL	11.1373 mL	22.2747 mL
	5 mM	0.4455 mL	2.2275 mL	4.4549 mL
	10 mM	0.2227 mL	1.1137 mL	2.2275 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

Mass

Concentration

Volume

Molecular Weight*

Calculate Reset

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

Calculate the Mass of a compound required to prepare a solution of known volume and concentration
Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume

See Example

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?

Enter 350.26 in the Molecular Weight (MW) box
Enter 10 in the Concentration box and choose the correct unit (mM)
Enter 5 in the Volume box and choose the correct unit (mL)
Click the “Calculate” button
The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Concentration (Start)

Volume (Start)

Concentration (End)

Volume (End)

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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:

Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
Enter 25 into the Concentration (End) box and select the correct unit (mM)
Enter 25 into the Volume (End) box and choose the correct unit (mL)
Click the “Calculate” button
The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box

Molecular formula

Total molecular weight

g/mol

Calculate Reset

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
Instructions to calculate molar mass (molecular weight) of a chemical compound:

To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.

Definitions of molecular mass, molecular weight, molar mass and molar weight:

Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration

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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
Click the “Calculate” button
The answer appears in the Volume (to add to vial) box

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)

Dosage mg/kg

Average weight of animals g

Dosing volume per animal μL

Number of animals

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.)

% DMSO

% Tween 80

% ddH₂O

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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.

Note： (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.

Clinical Trial Information

NCT Number	Recruitment	interventions	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT06171100	Recruiting	Drug: Tolvaptan	Hyponatremia SIADH	King's College Hospital NHS Trust	December 15, 2023	N/A
NCT05569655	Recruiting	Drug: Tolvaptan Drug: Furosemide	Pulmonary Arterial Hypertension Randomized Controlled Trial	Chinese Pulmonary Vascular Disease Research Group	April 6, 2021	Not Applicable
NCT04782258	Recruiting	Drug: Tolvaptan Suspension Drug: Tolvaptan Tablets	ARPKD	Otsuka Pharmaceutical Development & Commercialization, Inc.	July 15, 2022	Phase 3
NCT03406286	Recruiting	Drug: Tolvaptan	Safety	Korea Otsuka Pharmaceutical Co., Ltd.	July 19, 2016	N/A
NCT04790175	Recruiting	Drug: Tolvaptan (SAMSCA)	Antidiuretic Hormone, Inappropriate Secretion	Otsuka Pharmaceutical Co., Ltd.	March 29, 2021	N/A

Biological Data

Effect of tolvaptan on intracellular cAMP levels in ADPKD cells stimulated with AVP. Am J Physiol Renal Physiol . 2011 Nov;301(5):F1005-13.
Effect of tolvaptan on AVP-induced proliferation of human ADPKD and normal human kidney (NHK) cells. Am J Physiol Renal Physiol . 2011 Nov;301(5):F1005-13.
Diuretic effects of the administration of tolvaptan alone and furosemide alone during 6 h post dosing in normal conscious beagle dogs. Cardiovasc Drug Rev . 2007 Spring;25(1):1-13.
Effect of AVP and tolvaptan on ERK activation in human ADPKD cells. Am J Physiol Renal Physiol . 2011 Nov;301(5):F1005-13.