2,6-Dichloro-N-(2-(cyclopropanecarboxamido)pyridin-4-yl)benzamide

Name: 2,6-Dichloro-N-(2-(cyclopropanecarboxamido)pyridin-4-yl)benzamide
Brand: MedChemExpress
SKU: HY-120469
Rating: 4.5 (1 reviews)

Cat. No.: HY-120469 Purity: 99.80%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

GDC-046 is a potent, selective, and orally bioavailable TYK2 inhibitor with K_is of 4.8, 0.7, 0.7, and 0.4 nM for TYK2, JAK1, JAK2, and JAK3, respectively.

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

2,6-Dichloro-N-(2-(cyclopropanecarboxamido)pyridin-4-yl)benzamide Chemical Structure

CAS No. : 1258292-64-6

Size	Price	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 135	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 135	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	USD 123	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 201	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 382	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 592	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 919	In-stock	Estimated Time of Arrival: December 31
200 mg		Get quote
500 mg		Get quote

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Customer Review

Based on 1 publication(s) in Google Scholar

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JAK1 JAK2 JAK3 Tyk2 JAK

Biological Activity
Purity & Documentation
References
Customer Review

Description

GDC-046 is a potent, selective, and orally bioavailable TYK2 inhibitor with K_is of 4.8, 0.7, 0.7, and 0.4 nM for TYK2, JAK1, JAK2, and JAK3, respectively^[1].

IC₅₀ & Target^[1]

Tyk2

4.8 nM (Ki)

JAK1

0.7 nM (Ki)

JAK2

0.7 nM (Ki)

JAK3

0.4 nM (Ki)

Cellular Effect

Cell Line	Type	Value	Description	References
TF-1	EC₅₀	1.7 μM Compound: 46	Inhibition of JAK2 in human TF1 cells assessed as inhibition of Epo-induced STAT5 phosphorylation pretreated for 20 minutes prior to addition of cytokine by cell-based assay Inhibition of JAK2 in human TF1 cells assessed as inhibition of Epo-induced STAT5 phosphorylation pretreated for 20 minutes prior to addition of cytokine by cell-based assay	[PMID: 23867602]
TF-1	EC₅₀	2 μM Compound: 46	Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation pretreated for 20 minutes prior to addition of cytokine by cell-based assay Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation pretreated for 20 minutes prior to addition of cytokine by cell-based assay	[PMID: 23867602]

In Vitro

In cell-based assays, GDC-046 demonstrates reasonable potency in blocking the IL-12 pathway (IL-12 pSTAT4 EC₅₀=380 nM) while displaying less activity in the EPO (JAK2) pathway (EPO pSTAT5 EC₅₀=1700 nM) and IL-6 (JAK1) pathway (IL-6 pSTAT3 EC₅₀=2000 nM)^[1].

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

In Vivo

In mice, GDC-046 exhibits relatively high clearance (65 mL/min/kg) when dosed intravenously (i.v. 1 mg/kg) and exhibits modest oral exposure (AUC=2.6 μM·h at p.o. 5 mg/kg)^[1].

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

Molecular Weight

350.20

Formula

C₁₆H₁₃Cl₂N₃O₂

CAS No.

1258292-64-6

Appearance

Solid

Color

Off-white to yellow

SMILES

O=C(NC1=CC(NC(C2CC2)=O)=NC=C1)C3=C(Cl)C=CC=C3Cl

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

4°C, protect from light

*In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)

Solvent & Solubility

In Vitro:

DMSO : 62.5 mg/mL (178.47 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	2.8555 mL	14.2776 mL	28.5551 mL
5 mM	0.5711 mL	2.8555 mL	5.7110 mL
10 mM	0.2856 mL	1.4278 mL	2.8555 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 (protect from light). 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: ≥ 2.08 mg/mL (5.94 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 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% Corn Oil
Solubility: ≥ 2.08 mg/mL (5.94 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 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 (20.8 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).

*In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)

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: 99.80%

Select Batch:

Data Sheet (273 KB) SDS (393 KB)

COA (248 KB) HNMR (264 KB) LCMS (91 KB)

Handling Instructions (2659 KB)

References

[1]. Jun Liang, et al. Lead Optimization of a 4-aminopyridine Benzamide Scaffold to Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors. J Med Chem. 2013 Jun 13;56(11):4521-36. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	2.8555 mL	14.2776 mL	28.5551 mL	71.3878 mL
	5 mM	0.5711 mL	2.8555 mL	5.7110 mL	14.2776 mL
	10 mM	0.2856 mL	1.4278 mL	2.8555 mL	7.1388 mL
	15 mM	0.1904 mL	0.9518 mL	1.9037 mL	4.7592 mL
	20 mM	0.1428 mL	0.7139 mL	1.4278 mL	3.5694 mL
	25 mM	0.1142 mL	0.5711 mL	1.1422 mL	2.8555 mL
	30 mM	0.0952 mL	0.4759 mL	0.9518 mL	2.3796 mL
	40 mM	0.0714 mL	0.3569 mL	0.7139 mL	1.7847 mL
	50 mM	0.0571 mL	0.2856 mL	0.5711 mL	1.4278 mL
	60 mM	0.0476 mL	0.2380 mL	0.4759 mL	1.1898 mL
	80 mM	0.0357 mL	0.1785 mL	0.3569 mL	0.8923 mL
	100 mM	0.0286 mL	0.1428 mL	0.2856 mL	0.7139 mL