Cat. No.: HY-146690

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SIRT1-IN-3

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SIRT1-IN-3 (compound 3j) is a potent and selective SIRT1 inhibitor, with an IC₅₀ of 4.2 μM.

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

Purity: 99.12%
CAS No.: 2470969-91-4
Formula: C₁₃H₁₅BrN₂O
Molecular Weight:295.18

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)

SIRT1-IN-3 Chemical Structure

CAS No.: 2470969-91-4

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(In Japan)

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Use of MCE Products

Fluorescent Dye

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

Biological Activity
- Description
- IC₅₀ & Target
- Cellular Effect
- In Vitro
Chemical Information
Solvent & Solubility
- In Vitro
- In Vivo
Purity & Documentation
References
Help & FAQs
Bioz

Biological Activity

Description

SIRT1-IN-3 (compound 3j) is a potent and selective SIRT1 inhibitor, with an IC₅₀ of 4.2 μM^[1].

IC₅₀ & Target

SIRT1

4.2 μM (IC₅₀)

SIRT2

38 μM (IC₅₀)

All Sirtuin Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
A549	IC₅₀	52 μM Compound: 3j	Cytotoxicity against human A549 cells assessed as cell viability measured after 48 hrs by MTT assay Cytotoxicity against human A549 cells assessed as cell viability measured after 48 hrs by MTT assay	[PMID: 32711231]
HCT-116	IC₅₀	41 μM Compound: 3j	Cytotoxicity against human HCT-116 cells assessed as cell viability measured after 48 hrs by MTT assay Cytotoxicity against human HCT-116 cells assessed as cell viability measured after 48 hrs by MTT assay	[PMID: 32711231]
HEK-293T	IC₅₀	49 μM Compound: 3j	Cytotoxicity against human HEK293T cells assessed as cell viability measured after 48 hrs by MTT assay Cytotoxicity against human HEK293T cells assessed as cell viability measured after 48 hrs by MTT assay	[PMID: 32711231]
HepG2	IC₅₀	93 μM Compound: 3j	Cytotoxicity against human HepG2 cells assessed as cell viability measured after 48 hrs by MTT assay Cytotoxicity against human HepG2 cells assessed as cell viability measured after 48 hrs by MTT assay	[PMID: 32711231]
HT-29	IC₅₀	>100 μM Compound: 3j	Cytotoxicity against human HT-29 cells assessed as cell viability measured after 48 hrs by MTT assay Cytotoxicity against human HT-29 cells assessed as cell viability measured after 48 hrs by MTT assay	[PMID: 32711231]
HUVEC	IC₅₀	45 μM Compound: 3j	Cytotoxicity against human HUVEC cells assessed as cell viability measured after 48 hrs by MTT assay Cytotoxicity against human HUVEC cells assessed as cell viability measured after 48 hrs by MTT assay	[PMID: 32711231]
K562	IC₅₀	47 μM Compound: 3j	Cytotoxicity against human K562 cells assessed as cell viability measured after 48 hrs by MTT assay Cytotoxicity against human K562 cells assessed as cell viability measured after 48 hrs by MTT assay	[PMID: 32711231]
MCF7	IC₅₀	64 μM Compound: 3j	Cytotoxicity against human MCF7 cells assessed as cell viability measured after 48 hrs by MTT assay Cytotoxicity against human MCF7 cells assessed as cell viability measured after 48 hrs by MTT assay	[PMID: 32711231]
NCI-H460	IC₅₀	66 μM Compound: 3j	Cytotoxicity against human NCI-H460 cells assessed as cell viability measured after 48 hrs by MTT assay Cytotoxicity against human NCI-H460 cells assessed as cell viability measured after 48 hrs by MTT assay	[PMID: 32711231]

In Vitro

SIRT1-IN-3 (compound 3j) (0-100 μM, 48 h) inhibits the proliferation of human cancer cell lines including K562, HCT-116, H460, HepG2, A549, and MCF-7, and shows low cytotoxic on 293T and HUVEC^[1].

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

Cell Cytotoxicity Assay

Cell Line:

Human cancer cell lines (K562, HCT-116, H460, HepG2, A549, HT-29, MCF-7) and normal cell lines (293T, HUVEC)^[1]
Concentration:

0, 0.01, 0.1, 1, 10, 100 μM
Incubation Time:

48 h
Result:

Inhibited the proliferation of Human cancer cell lines including K562, HCT-116, H460, HepG2, A549, and MCF-7, with IC₅₀ values of 47, 41, 66, 93, 52, and 64 μM, respectively. And showed low cytotoxic on 293T and HUVEC, with an IC₅₀ values of 49 and 45 μM, respectively.

Chemical Information

CAS No. 2470969-91-4
Appearance Solid
Molecular Weight 295.18
Formula C₁₃H₁₅BrN₂O
Color White to off-white
SMILES

CC(C1=C(NC2=CC=C(C=C21)Br)CC(N)=O)C
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 (338.78 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

3.3878 mL

16.9388 mL

33.8776 mL

5 mM

0.6776 mL

3.3878 mL

6.7755 mL

10 mM

0.3388 mL

1.6939 mL

3.3878 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 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: ≥ 2.5 mg/mL (8.47 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 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 (272 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]. Laaroussi H, Ding Y, Teng Y, et al. Synthesis of indole inhibitors of silent information regulator 1 (SIRT1), and their evaluation as cytotoxic agents. Eur J Med Chem. 2020;202:112561. [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	3.3878 mL	16.9388 mL	33.8776 mL	84.6941 mL
	5 mM	0.6776 mL	3.3878 mL	6.7755 mL	16.9388 mL
	10 mM	0.3388 mL	1.6939 mL	3.3878 mL	8.4694 mL
	15 mM	0.2259 mL	1.1293 mL	2.2585 mL	5.6463 mL
	20 mM	0.1694 mL	0.8469 mL	1.6939 mL	4.2347 mL
	25 mM	0.1355 mL	0.6776 mL	1.3551 mL	3.3878 mL
	30 mM	0.1129 mL	0.5646 mL	1.1293 mL	2.8231 mL
	40 mM	0.0847 mL	0.4235 mL	0.8469 mL	2.1174 mL
	50 mM	0.0678 mL	0.3388 mL	0.6776 mL	1.6939 mL
	60 mM	0.0565 mL	0.2823 mL	0.5646 mL	1.4116 mL
	80 mM	0.0423 mL	0.2117 mL	0.4235 mL	1.0587 mL
	100 mM	0.0339 mL	0.1694 mL	0.3388 mL	0.8469 mL

Keywords

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SIRT1-IN-3

Cell Cycle/DNA Damage Compound Library

Epigenetics Compound Library

Histone Modification Research Compound Library

Anti-Cancer Compound Library

Anti-Aging Compound Library

Antioxidant Compound Library

Reprogramming Compound Library

Oxygen Sensing Compound Library

Glutamine Metabolism Compound Library

Metabolic Enzyme Compound Library

Highly Selective Inhibitors Library

Multi-Target Compound Library

Radioprotector Library

Bioactive Compound Library Max

Epigenetics Compound Library Mini

MCE Bioactive Compound Library

Bioactive Compound Library

Non-Alcoholic Fatty Liver Disease (NAFLD) Compound Library

Cell Proliferation Compound Library

High-Throughput Bioactive Compound Library

All Sirtuin Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

SIRT1-IN-3

Cell Cycle/DNA Damage Compound Library

Epigenetics Compound Library

Histone Modification Research Compound Library

Anti-Cancer Compound Library

Anti-Aging Compound Library

Antioxidant Compound Library

Reprogramming Compound Library

Oxygen Sensing Compound Library

Glutamine Metabolism Compound Library

Metabolic Enzyme Compound Library

Highly Selective Inhibitors Library

Multi-Target Compound Library

Radioprotector Library

Bioactive Compound Library Max

Epigenetics Compound Library Mini

MCE Bioactive Compound Library

Bioactive Compound Library

Non-Alcoholic Fatty Liver Disease (NAFLD) Compound Library

Cell Proliferation Compound Library

High-Throughput Bioactive Compound Library

All Sirtuin Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

SIRT1-IN-3 Related Classifications

Cat. No.: HY-146690