Cat. No.: HY-161268

NAE-IN-1

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NAE-IN-1 (compound X-10) is a potent NAE1 inhibitor. NAE-IN-1 induces apoptosis and cell cycle arrest at the G2/M phase. NAE-IN-1 increases ROS levels and prevents cell migration. NAE-IN-1 shows anti-proliferation activity.

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Pureté: 99.75%
CAS No.: 3058629-66-3
Formule: C₂₉H₃₀N₄O₂S
Masse moléculaire:498.64

Stockage:

Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month

NAE-IN-1 Chemical Structure

CAS No.: 3058629-66-3

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Activité biologique
- Description
- Cellular Effect
- In Vitro
Chemical Information
Solvant et solubilité
- In Vitro
- In Vivo
Pureté et documentation
Références
Help & FAQs
Classifications
Bioz

Activité biologique

Description

Cellular Effect

Cell Line	Type	Value	Description	References
A549	IC₅₀	0.87 μM Compound: X-10	Antiproliferative activity against human A549 cells by CCK8 assay Antiproliferative activity against human A549 cells by CCK8 assay	[PMID: 38320715]
HUVEC	IC₅₀	6.21 μM Compound: X-10	Cytotoxicity against HUVECs incubated for 72 hrs by CCK8 assay Cytotoxicity against HUVECs incubated for 72 hrs by CCK8 assay	[PMID: 38320715]
KYSE-30	IC₅₀	0.65 μM Compound: X-10	Antiproliferative activity against human KYSE-30 cells by CCK8 assay Antiproliferative activity against human KYSE-30 cells by CCK8 assay	[PMID: 38320715]
MCF7	IC₅₀	0.96 μM Compound: X-10	Antiproliferative activity against human MCF7 cells by CCK8 assay Antiproliferative activity against human MCF7 cells by CCK8 assay	[PMID: 38320715]
MGC-803	IC₅₀	1.63 μM Compound: X-10	Antiproliferative activity against human MGC-803 cells by CCK8 assay Antiproliferative activity against human MGC-803 cells by CCK8 assay	[PMID: 38320715]

In Vitro

NAE-IN-1 (compound X-10) (1, 3, 5 μM; 24 h) decreases the expression of Cullin 1 and Cullin 3 in a dose-dependent manner in MGC-803 cells^[1].
NAE-IN-1 (0, 1, 2, 4 μM; 24 h) induces cell cycle arrest at G2/M phase^[1].

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

Cell Proliferation Assay^[1]

Cell Line:

A549, MGC-803, MCF-7, KYSE-30 cells
Concentration:

0-100 µM
Incubation Time:
Result:

Showed anti-proliferation activity with IC₅₀s of 0.87, 1.63, 0.96, 0.65 µM for A549, MGC-803, MCF-7, KYSE-30 cells, respectively.

Western Blot Analysis^[1]

Cell Line:

MGC-803 cells
Concentration:

1, 3, 5 µM
Incubation Time:

24 h
Result:

Decreased the expression of Cullin 1 and Cullin 3 in a dose-dependent manner.

Cell Cycle Analysis^[1]

Cell Line:

MGC-803 cells
Concentration:

0, 1, 2, 4 µM
Incubation Time:

24 h
Result:

Induced cell cycle arrest at G2/M phase.

Chemical Information

CAS No. 3058629-66-3
Appearance Solid
Masse moléculaire 498.64
Formule C₂₉H₃₀N₄O₂S
Color White to off-white
SMILES

O=C(NC1=CC=C(N=C(NC(C2=CC=C(CC)C=C2)=O)S3)C3=C1)C(CC4)CCN4CC5=CC=CC=C5
Livraison

Room temperature in continental US; may vary elsewhere.

Stockage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvant et solubilité

In Vitro:

DMSO : 100 mg/mL (200.55 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

2.0055 mL

10.0273 mL

20.0545 mL

5 mM

0.4011 mL

2.0055 mL

4.0109 mL

10 mM

0.2005 mL

1.0027 mL

2.0055 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. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Calculateur de molarité

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

Mass Mass

Concentration Concentration

Volume Volume

Molecular Weight Molecular Weight

Calculateur de dilution

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 (10.03 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% Corn Oil

Solubility: ≥ 5 mg/mL (10.03 mM); Clear solution

This protocol yields a clear solution of ≥ 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 (50.0 mg/mL) to 900 μL Corn oil, 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

Pureté et documentation

Select Batch:

Pureté: 99.98%

Assay: 99.98%

ee.: 99.98%

Fiche technique (270 KB)
SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 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)
Instruction de manipulation (2659 KB)

Références

[1]. Wang X, et al. Identification of novel benzothiazole derivatives as inhibitors of NEDDylation pathway to inhibit the progression of gastric cancer. Bioorg Med Chem Lett. 2024 Mar 1;100:129647. [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

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.

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	2.0055 mL	10.0273 mL	20.0545 mL	50.1364 mL
	5 mM	0.4011 mL	2.0055 mL	4.0109 mL	10.0273 mL
	10 mM	0.2005 mL	1.0027 mL	2.0055 mL	5.0136 mL
	15 mM	0.1337 mL	0.6685 mL	1.3370 mL	3.3424 mL
	20 mM	0.1003 mL	0.5014 mL	1.0027 mL	2.5068 mL
	25 mM	0.0802 mL	0.4011 mL	0.8022 mL	2.0055 mL
	30 mM	0.0668 mL	0.3342 mL	0.6685 mL	1.6712 mL
	40 mM	0.0501 mL	0.2507 mL	0.5014 mL	1.2534 mL
	50 mM	0.0401 mL	0.2005 mL	0.4011 mL	1.0027 mL
	60 mM	0.0334 mL	0.1671 mL	0.3342 mL	0.8356 mL
	80 mM	0.0251 mL	0.1253 mL	0.2507 mL	0.6267 mL
	100 mM	0.0201 mL	0.1003 mL	0.2005 mL	0.5014 mL

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NAE-IN-1

Apoptosis Compound Library

Immunology/Inflammation Compound Library

Metabolism/Protease Compound Library

NF-κB Signaling Compound Library

Anti-Cancer Compound Library

Anti-Aging Compound Library

Ubiquitination Compound Library

Metabolic Enzyme Compound Library

Cell Death Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

Non-Alcoholic Fatty Liver Disease (NAFLD) Compound Library

High-Throughput Bioactive Compound Library

Posttranslational Modification Library

Lactylation Compound Library

Activité biologique

Chemical Information

Solvant et solubilité

Pureté et documentation

Références

Help & FAQs

Complete Stock Solution Preparation Table

NAE-IN-1

Apoptosis Compound Library

Immunology/Inflammation Compound Library

Metabolism/Protease Compound Library

NF-κB Signaling Compound Library

Anti-Cancer Compound Library

Anti-Aging Compound Library

Ubiquitination Compound Library

Metabolic Enzyme Compound Library

Cell Death Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

Non-Alcoholic Fatty Liver Disease (NAFLD) Compound Library

High-Throughput Bioactive Compound Library

Posttranslational Modification Library

Lactylation Compound Library

Activité biologique

Chemical Information

Solvant et solubilité

Pureté et documentation

Références

Help & FAQs

Complete Stock Solution Preparation Table

NAE-IN-1 Related Classifications

HY-161268 Related Classifications