Cat. No.: HY-142618

TNF-α-IN-6

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TNF-α-IN-6 (compound 12) is an orally effective allosteric inhibitor of TNFα (K_D = 6.8 nM). TNF-α-IN-6 has anti-inflammatory effects.

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

Purity: 99.58%
CAS No.: 2699704-20-4
Formula: C₂₆H₂₅N₉O₂
Molecular Weight:495.54

Storage:

4°C, sealed storage, away from moisture and light

* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light)

TNF-α-IN-6 Chemical Structure

CAS No.: 2699704-20-4

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(In Japan)

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Biological Activity
- Description
- In Vitro
- In Vivo
Chemical Information
Solvent & Solubility
- In Vitro
- In Vivo
Purity & Documentation
References
Help & FAQs
Bioz

Biological Activity

Description

TNF-α-IN-6 (compound 12) is an orally effective allosteric inhibitor of TNFα (K_D = 6.8 nM). TNF-α-IN-6 has anti-inflammatory effects^[1].

All TNF Receptor Isoforms :

In Vitro

TNF-α-IN-6 with IC₅₀ in L929 cells is 99 nM, and the IC₅₀ in the FP binding assay is 71 nM^[1].

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

In Vivo

TNF-α-IN-6 (0-100 mg/kg, orally, twice daily, 17 days) can reduce paw swelling in mice and has anti-inflammatory effects^[1].
Pharmacokinetic Analysis of TNF-α-IN-6 in Mice Model^[1]

Route	Dose (mg/kg)	t_1/2 (h)	V_{ss_obs} (L/kg)	AUC (ng•h/mL)	CL_b (L/h/kg)	CL_b,u (L/h/kg)	T_max (h)	C_max (ng/mL)	F (%)	AUC_u (ng•h/mL)
i.v.	1	1.1	2.12	523	1.92	11.9	/	/	/	/
oral	1	1.6	/	263	/	/	1.0	81.7	50.4	42.4

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

Animal Model:

GPI (HY-P2918) induced mouse arthritis model^[1]
Dosage:

0, 10, 30, 100 mg/kg; twice daily; 17 days
Administration:

Oral
Result:

Suppressed plantar swelling.

Chemical Information

CAS No. 2699704-20-4
Appearance Solid
Molecular Weight 495.54
Formula C₂₆H₂₅N₉O₂
Color Light yellow to yellow
SMILES

N#CC1=NC=CC=C1CN(C2=NC(C3=CN=C(N4C[C@]5([H])N(C(NC5)=O)CC4)N=C3)=CC=C26)C(C)(C)C6=O
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

4°C, sealed storage, away from moisture and light

* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light)

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (201.80 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

2.0180 mL

10.0900 mL

20.1800 mL

5 mM

0.4036 mL

2.0180 mL

4.0360 mL

10 mM

0.2018 mL

1.0090 mL

2.0180 mL

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 (sealed storage, away from moisture and 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

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass

Concentration

Volume

Molecular Weight

Dilution Calculator

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

Stock Solution Working Solution

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: ≥ 2.5 mg/mL (5.05 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 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.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage
mg/kg
Animal Weight (Per Animal)
g
Dosing Volume (Per Animal)
μL
Number of Animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

%
DMSO +

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
%
+
+
%
Tween-80 + +
%
Saline +

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).

Working solution concentration: 0.22 mg/mL

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (275 KB)
SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
- Norwegian - NO (252 KB)
- Español - ES (252 KB)
- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Portuguese - PT (252 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

References

[1]. Dietrich JD, et al. Development of Orally Efficacious Allosteric Inhibitors of TNFα via Fragment-Based Drug Design. J Med Chem. 2021 Jan 14;64(1):417-429. [Content Brief]

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	2.0180 mL	10.0900 mL	20.1800 mL	50.4500 mL
	5 mM	0.4036 mL	2.0180 mL	4.0360 mL	10.0900 mL
	10 mM	0.2018 mL	1.0090 mL	2.0180 mL	5.0450 mL
	15 mM	0.1345 mL	0.6727 mL	1.3453 mL	3.3633 mL
	20 mM	0.1009 mL	0.5045 mL	1.0090 mL	2.5225 mL
	25 mM	0.0807 mL	0.4036 mL	0.8072 mL	2.0180 mL
	30 mM	0.0673 mL	0.3363 mL	0.6727 mL	1.6817 mL
	40 mM	0.0505 mL	0.2523 mL	0.5045 mL	1.2613 mL
	50 mM	0.0404 mL	0.2018 mL	0.4036 mL	1.0090 mL
	60 mM	0.0336 mL	0.1682 mL	0.3363 mL	0.8408 mL
	80 mM	0.0252 mL	0.1261 mL	0.2523 mL	0.6306 mL
	100 mM	0.0202 mL	0.1009 mL	0.2018 mL	0.5045 mL

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TNF-α-IN-6

MCE Bioactive Compound Library

All TNF Receptor Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

TNF-α-IN-6 Related Classifications

Cat. No.: HY-142618