Cat. No.: HY-163536

TGF-β1/Smad3-IN-1

Name: TGF-β1/Smad3-IN-1
Brand: MedChemExpress
SKU: HY-163536
Price: 310.00 USD
Availability: InStock
Rating: 5 (1 reviews)

Customer Review

Based on 1 Customer Validation

TGF-β1/Smad3-IN-1 (Compound 5aa) is an inhibitor of the TGF-β1/Smad3 signaling pathway(IC₅₀=1.07 μM). TGF-β1/Smad3-IN-1 possesses antifibrotic activity and oral potency.

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

Purity: 98.05%
CAS No.: 3043687-96-0
Formula: C₃₀H₃₄N₄O₆S
Molecular Weight:578.68

Storage:

4°C, sealed storage, away from moisture

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

TGF-β1/Smad3-IN-1 Chemical Structure

CAS No.: 3043687-96-0

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Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

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

Biological Activity

Description

TGF-β1/Smad3-IN-1 (Compound 5aa) is an inhibitor of the TGF-β1/Smad3 signaling pathway(IC₅₀=1.07 μM). TGF-β1/Smad3-IN-1 possesses antifibrotic activity and oral potency^[1].

All TGF-beta/Smad Isoforms :

Smad1
Smad3

In Vitro

TGF-β1/Smad3-IN-1 (100-500 nM; 48 h) leads to a decrease in TGF-β1 levels in H2228 cells, which is better inhibited than Nintedanib (HY-50904) at the same concentration^[1].
TGF-β1/Smad3-IN-1 (2-6 μM; 24 h) shows dose-dependent inhibition of p-Smad3 and α-SMA expression and significantly inhibits NIH3T3 cell migration^[1].
TGF-β1/Smad3-IN-1 (3-10 μM; 72 h) increases Cleave-casepase3 expression in NIH3T3 cells and dose-dependently induces apoptosis^[1].
TGF-β1/Smad3-IN-1 has an IC₅₀ of 1.07 μM for NIH3T3 cells. IC₅₀ for TGFβ1-activated HFL1 cells is 2.86 μM. TGF-β1/Smad3-IN-1 is found to be effective in inhibiting the expression of α-SMA^[1].

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

Apoptosis Analysis^[1]

Cell Line:

NIH3T3
Concentration:

3, 7.5, 10 μM
Incubation Time:

72 h
Result:

At the highest concentration of 10 μM, the total apoptosis rate of cells reached 91.79%, indicating that 5aa has a strong ability to induce apoptosis.

In Vivo

TGF-β1/Smad3-IN-1 is more bioavailable than Nintedanib in SD rats^[1].
TGF-β1/Smad3-IN-1 (p.o.; 100 mg/kg/; day 2-20) inhibits bleomycin-induced pulmonary TGFβ1 and HYP expression, reduces extracellular mesenchymal deposition, and attenuates pulmonary fibrosis in bleomycin-induced model of pulmonary fibrosis in mice^[1].

Pharmacokinetic Analysis in SD rats^[1]

Route	Dose (mg/kg)	T_max (h)	t_1/2 (h)	V_{z_F_obs} (L/kg)	MRT_0~t (h)	AUC_0~t-Dobs (h·ng/mL/mg)	F (%)
p.o.	10	3.01 ± 1.24	3.85 ± 0.31	/	5.117 ± 1.23	203.540 ± 4.7	15.96 ± 4.67
i.v.	1	0.029 ± 0.001	2.577 ± 0.33	19.636 ± 1.48	/	127.471 ± 25.41	/

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

Animal Model:

Bleomycin-induced model of pulmonary fibrosis in mice^[1]
Dosage:

100 mg/kg/
Administration:

p.o.; day 2-20
Result:

Significantly reduced α-SMA, fibronection and p-smad3 protein expression levels.
Significantly reduced TGFβ1 levels, more effective than Nintedanib.
Reduced hydroxyproline (HYP) levels.

Chemical Information

CAS No. 3043687-96-0
Appearance Solid
Molecular Weight 578.68
Formula C₃₀H₃₄N₄O₆S
Color Light yellow to yellow
SMILES

O=C(C1=CC(NC/2=O)=C(C=C1)C2=C(NC3=CC=C(N4CCN(C)CC4)C=C3)/C5=CC=CC=C5)OC.CCS(=O)(O)=O
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

4°C, sealed storage, away from moisture

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

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (172.81 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

1.7281 mL

8.6404 mL

17.2807 mL

5 mM

0.3456 mL

1.7281 mL

3.4561 mL

10 mM

0.1728 mL

0.8640 mL

1.7281 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). 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 Mass

Concentration Concentration

Volume Volume

Molecular Weight Molecular Weight

Dilution Calculator

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

Concentration _(start) Concentration _(start)

Volume _(start) Volume _(start)

Concentration _(final) Concentration _(final)

Volume _(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: ≥ 5 mg/mL (8.64 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.

Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)

Solubility: ≥ 5 mg/mL (8.64 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.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals 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 (280 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)
- Korean - KR (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]. An B, et al. Inhibition of TGF-β1/Smad3 signaling by compound 5aa: A potential treatment for idiopathic pulmonary fibrosis. Bioorg Chem. 2024 Apr 16;147:107374. [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	1.7281 mL	8.6404 mL	17.2807 mL	43.2018 mL
	5 mM	0.3456 mL	1.7281 mL	3.4561 mL	8.6404 mL
	10 mM	0.1728 mL	0.8640 mL	1.7281 mL	4.3202 mL
	15 mM	0.1152 mL	0.5760 mL	1.1520 mL	2.8801 mL
	20 mM	0.0864 mL	0.4320 mL	0.8640 mL	2.1601 mL
	25 mM	0.0691 mL	0.3456 mL	0.6912 mL	1.7281 mL
	30 mM	0.0576 mL	0.2880 mL	0.5760 mL	1.4401 mL
	40 mM	0.0432 mL	0.2160 mL	0.4320 mL	1.0800 mL
	50 mM	0.0346 mL	0.1728 mL	0.3456 mL	0.8640 mL
	60 mM	0.0288 mL	0.1440 mL	0.2880 mL	0.7200 mL
	80 mM	0.0216 mL	0.1080 mL	0.2160 mL	0.5400 mL
	100 mM	0.0173 mL	0.0864 mL	0.1728 mL	0.4320 mL

Bioz

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TGF-β1/Smad3-IN-1

Phorbol 12-myristate 13-acetate

IBMX

SDF-1α (human) TFA

All TGF-beta/Smad Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

Bioz

TGF-β1/Smad3-IN-1

Phorbol 12-myristate 13-acetate

IBMX

SDF-1α (human) TFA

All TGF-beta/Smad Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

TGF-β1/Smad3-IN-1 Related Classifications

HY-163536 Related Classifications

Bioz