RORγt inverse agonist 13

Name: RORγt inverse agonist 13
Brand: MedChemExpress
SKU: HY-131338
Rating: 4.5 (1 reviews)

Cat. No.: HY-131338 Purity: 98.13%: FAQs
Data Sheet SDS COA Handling Instructions

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RORγt inverse agonist 13 (Compound 3i) is a potent, orally active and selective RORγt inverse agonist, with improved agent-like properties, with an IC₅₀ of 63.8 nM.

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

RORγt inverse agonist 13 Chemical Structure

CAS No. : 2170477-75-3

Size	Price	Stock	Quantity

Free Sample (0.1 - 0.5 mg)		Apply Now
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 271	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 271	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	USD 240	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 380	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 660	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 940	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 1280	In-stock	Estimated Time of Arrival: December 31
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500 mg		Get quote

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Customer Review

Based on 1 publication(s) in Google Scholar

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Biological Activity
Purity & Documentation
References
Customer Review

Description

RORγt inverse agonist 13 (Compound 3i) is a potent, orally active and selective RORγt inverse agonist, with improved agent-like properties, with an IC₅₀ of 63.8 nM^[1].

IC₅₀ & Target^[1]

ROR-γ

63.8 nM (IC₅₀)

In Vitro

RORγt inverse agonist 13 (Compound 3i) exhibits activity with an inhibition of 76% at 0.3 µM in Th17 cell differentiation assay^[1].

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

In Vivo

RORγt inverse agonist 13 (Compound 3i, 25 mg/kg, Orally, twice daily) demonstrats excellent in vivo PK profile in mice and good in vivo efficacy in an IMQ-induced psoriasis mice model^[1].

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

Animal Model:	Imiquimod (IMQ)-induced psoriasis mice model^[1].
Dosage:	25 mg/kg.
Administration:	Orally, twice daily.
Result:	Brought in a significant reduction in clinical severity of psoriasis as measured through the ear erythema, back skin erythema and scaliness scales.

Animal Model:	Male CD-1 Mice^[1].
Dosage:	1 mg/kg (i.v.) and 5 mg/kg (p.o.)(Pharmacokinetic Analysis).
Administration:	IV or PO, single dose.
Result:	C_max: 609.67 ng/mL (PO), 1550 ng/mL (IV). T_1/2: 3.63 h (PO), 3.04 h (IV).

Molecular Weight

513.29

Formula

C₂₃H₁₇Cl₂F₃N₂O₄

CAS No.

2170477-75-3

Appearance

Solid

Color

White to off-white

SMILES

O=C(O)CC1=CC=C(CNC(NC2=CC(Cl)=C(C3=CC=CC=C3OC(F)(F)F)C(Cl)=C2)=O)C=C1

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (194.82 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	1.9482 mL	9.7411 mL	19.4822 mL
5 mM	0.3896 mL	1.9482 mL	3.8964 mL
10 mM	0.1948 mL	0.9741 mL	1.9482 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 90% Corn Oil
Solubility: ≥ 2.5 mg/mL (4.87 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 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 (25.0 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: 98.13%

Select Batch:

Data Sheet (273 KB) SDS (252 KB)

COA (248 KB) LCMS (97 KB)

Handling Instructions (2659 KB)

References

[1]. Nannan Sun, et al. Discovery of carboxyl-containing biaryl ureas as potent RORγt inverse agonists. Eur J Med Chem. 2020 Jul 5;202:112536. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	1.9482 mL	9.7411 mL	19.4822 mL	48.7054 mL
	5 mM	0.3896 mL	1.9482 mL	3.8964 mL	9.7411 mL
	10 mM	0.1948 mL	0.9741 mL	1.9482 mL	4.8705 mL
	15 mM	0.1299 mL	0.6494 mL	1.2988 mL	3.2470 mL
	20 mM	0.0974 mL	0.4871 mL	0.9741 mL	2.4353 mL
	25 mM	0.0779 mL	0.3896 mL	0.7793 mL	1.9482 mL
	30 mM	0.0649 mL	0.3247 mL	0.6494 mL	1.6235 mL
	40 mM	0.0487 mL	0.2435 mL	0.4871 mL	1.2176 mL
	50 mM	0.0390 mL	0.1948 mL	0.3896 mL	0.9741 mL
	60 mM	0.0325 mL	0.1624 mL	0.3247 mL	0.8118 mL
	80 mM	0.0244 mL	0.1218 mL	0.2435 mL	0.6088 mL
	100 mM	0.0195 mL	0.0974 mL	0.1948 mL	0.4871 mL