3-Chlorodiphenylamine

Cat. No.: HY-131948 Purity: 98.74%: FAQs
Data Sheet SDS COA Handling Instructions

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3-Chlorodiphenylamine is a high affinity Ca²⁺ sensitizer of cardiac muscle. 3-Chlorodiphenylamine is based on diphenylamine and binds to the isolated N-domain of cardiac troponin C (cTnC) (K_d=6 µM). 3-Chlorodiphenylamine is an excellent starting scaffold for the development of more potent Ca²⁺-sensitizing compounds due to its small size, and can be used for systolic heart failure research.

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

3-Chlorodiphenylamine Chemical Structure

CAS No. : 101-17-7

Size	Price	Stock	Quantity
25 mg	USD 40	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 63	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 90	In-stock	Estimated Time of Arrival: December 31
200 mg		Get quote
500 mg		Get quote

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Purity & Documentation
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Description

IC₅₀ & Target

Kd: 6 µM (N-domain of cardiac troponin C (cTnC))
Kd: 10 µM (cNTnC–cSp chimera)^[1]

In Vitro

3-Chlorodiphenylamine is able to bind highly (K_d=10 µM) to a chimeric protein consisting of the regulatory N-domain of cTnC (cNTnC) and the switch region of cTnI (cNTnC–cSp chimera)^[1].
3-Chlorodiphenylamine (100 µM) results in a 1.5-fold increase in the Ca²⁺ sensitivity of force development without altering the maximal or resting forces in skinned ventricular trabeculae^[1].
3-Chlorodiphenylamine (25-100 µM) increases Ca²⁺ sensitivity of the N-domain of intact cTnC after reconstitution into the cTn complex (cTnC complexed with cTnI and cTnT) in a concentration-dependent manner. It exhibits pCa₅₀s with 6.39±0.01, 6.65±0.01, and 6.73±0.02 in the presence of 25, 50, and 100 µM 3-Chlorodiphenylamine, respectively^[1].

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

Molecular Weight

203.67

Formula

C₁₂H₁₀ClN

CAS No.

101-17-7

Appearance

Liquid (Density: 1,21 g/cm³)

Color

Colorless to light yellow

SMILES

ClC1=CC(NC2=CC=CC=C2)=CC=C1

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

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

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (490.99 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	4.9099 mL	24.5495 mL	49.0990 mL
5 mM	0.9820 mL	4.9099 mL	9.8198 mL
10 mM	0.4910 mL	2.4550 mL	4.9099 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:

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 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 5 mg/mL (24.55 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 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 5 mg/mL (24.55 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 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 5 mg/mL (24.55 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: 98.74%

Select Batch:

Data Sheet (272 KB) SDS (393 KB)

COA (246 KB) HNMR (244 KB) LCMS (95 KB)

Handling Instructions (2659 KB)

References

[1]. Svetlana B Tikunova, et al. 3-Chlorodiphenylamine activates cardiac troponin by a mechanism distinct from bepridil or TFP. J Gen Physiol. 2019 Jan 7;151(1):9-17. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	4.9099 mL	24.5495 mL	49.0990 mL	122.7476 mL
	5 mM	0.9820 mL	4.9099 mL	9.8198 mL	24.5495 mL
	10 mM	0.4910 mL	2.4550 mL	4.9099 mL	12.2748 mL
	15 mM	0.3273 mL	1.6366 mL	3.2733 mL	8.1832 mL
	20 mM	0.2455 mL	1.2275 mL	2.4550 mL	6.1374 mL
	25 mM	0.1964 mL	0.9820 mL	1.9640 mL	4.9099 mL
	30 mM	0.1637 mL	0.8183 mL	1.6366 mL	4.0916 mL
	40 mM	0.1227 mL	0.6137 mL	1.2275 mL	3.0687 mL
	50 mM	0.0982 mL	0.4910 mL	0.9820 mL	2.4550 mL
	60 mM	0.0818 mL	0.4092 mL	0.8183 mL	2.0458 mL
	80 mM	0.0614 mL	0.3069 mL	0.6137 mL	1.5343 mL
	100 mM	0.0491 mL	0.2455 mL	0.4910 mL	1.2275 mL