Cat. No.: HY-171992

COX-2-IN-55

Customer Review

Based on 1 Customer Validation

COX-2-IN-55 (compound 1) is an orally active, Celecoxib (HY-14398)-based analog with broad-spectrum anticancer activity and weak COX-2 inhibition. COX-2-IN-55 specifically inhibits SERCA2, increases caspase-3 cleavage and DR5 levels, thereby activating GRP78 and inhibiting the development of triple-negative breast cancer (TNBC). COX-2-IN-55 can also downregulate the levels of angiogenic markers VEGF-α and IL-8, inhibiting the formation of microvessels.

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

Purity: 99.20%
CAS No.: 2649115-80-8
Formula: C₂₄H₂₁F₃N₄O₂S
Molecular Weight:486.51

Storage:

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

COX-2-IN-55 Chemical Structure

CAS No.: 2649115-80-8

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Top Publications Citing

Use of MCE Products

Fluorescent Dye

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

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

Biological Activity

Description

IC₅₀ & Target

Caspase 3

VEGFR1

All VEGFR Isoforms :

All Caspase Isoforms :

All Calcium Channel Isoforms :

In Vitro

COX-2-IN-55 (compound 1) inhibits the viability of MDA-MB-231 cells, MDA-MB-468 cells, 4T1 cells, T47D cells, and MCF-7 cells with EC50 of 14.99 μM, 14.26 μM, 11.23 μM, 17.3 μM, and 25.02 μM, respectively^[1].

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

In Vivo

COX-2-IN-55 (25 mg/kg/day, 50 mg/kg/day; po; 28 days) exhibited significant antitumor properties in the MDA-MB-231 xenograft nu/nu mouse model, causing up to 85% tumor regression^[1].
At a dose of 100 mg/kg/day COX-2-IN-55, no significant biochemical or histological toxicity was observed in mice after 48 days of treatment^[1].

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

Chemical Information

CAS No. 2649115-80-8
Appearance Solid
Molecular Weight 486.51
Formula C₂₄H₂₁F₃N₄O₂S
Color White to yellow
SMILES

O=S(NC1=CC(N)=CC=C1)(C2=CC=C(N3N=C(C(F)(F)F)C=C3C4=C(C)C=CC(C)=C4)C=C2)=O
Shipping

Room temperature in continental US; may vary elsewhere.

Storage

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

Solvent & Solubility

In Vitro:

DMSO : 35 mg/mL (71.94 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

2.0555 mL

10.2773 mL

20.5546 mL

5 mM

0.4111 mL

2.0555 mL

4.1109 mL

10 mM

0.2055 mL

1.0277 mL

2.0555 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.

Molarity Calculator

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

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Dilution Calculator

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Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (275 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)
Handling Instructions (2659 KB)

References

[1]. Louie Stan, et al. Methods, compounds and compositions for the treatment of cancer by inhibiting notch-1 maturation. World Intellectual Property Organization, WO2021113605 A1. 2021-06-10.

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	2.0555 mL	10.2773 mL	20.5546 mL	51.3864 mL
	5 mM	0.4111 mL	2.0555 mL	4.1109 mL	10.2773 mL
	10 mM	0.2055 mL	1.0277 mL	2.0555 mL	5.1386 mL
	15 mM	0.1370 mL	0.6852 mL	1.3703 mL	3.4258 mL
	20 mM	0.1028 mL	0.5139 mL	1.0277 mL	2.5693 mL
	25 mM	0.0822 mL	0.4111 mL	0.8222 mL	2.0555 mL
	30 mM	0.0685 mL	0.3426 mL	0.6852 mL	1.7129 mL
	40 mM	0.0514 mL	0.2569 mL	0.5139 mL	1.2847 mL
	50 mM	0.0411 mL	0.2055 mL	0.4111 mL	1.0277 mL
	60 mM	0.0343 mL	0.1713 mL	0.3426 mL	0.8564 mL

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COX-2-IN-55

Apoptosis Compound Library

Kinase Inhibitor Library

Membrane Transporter/Ion Channel Compound Library

Neuronal Signaling Compound Library

Protein Tyrosine Kinase Compound Library

Anti-Cancer Compound Library

Differentiation Inducing Compound Library

Reprogramming Compound Library

Pyroptosis Compound Library

Orally Active Compound Library

Neuroprotective Compound Library

Anti-Breast Cancer Compound Library

Anti-Lung Cancer Compound Library

Anti-Pancreatic Cancer Compound Library

Anti-Blood Cancer Compound Library

Angiogenesis-Related Compound Library

Anti-Liver Cancer Compound Library

Anti-Colorectal Cancer Compound Library

Calcium Channel Blocker Library

Anti-Pulmonary Fibrosis Compound Library

Chemokine Compound Library

Antihypertensive Compound Library

Membrane Protein-targeted Compound Library

Membrane Receptor-targeted Compound Library

Highly Selective Inhibitors Library

Highly Selective Activators Library

Cytokine Inhibitors Library

Ion Channel Compound Library

Anti-Hematopathy Compound Library

Anti-Ovarian Cancer Compound Library

Multi-Target Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

Anti-Brain Cancer Compound Library

Protein Kinase Compound Library

High-Throughput Bioactive Compound Library

All VEGFR Isoforms

All Caspase Isoforms

All Calcium Channel Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

COX-2-IN-55 Related Classifications

HY-171992 Related Classifications