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Cat. No.: HY-150685

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Topo I/COX-2-IN-1

Topo I/COX-2-IN-1 (1H-30) is a potential Topo I/COX-2 inhibitor. Topo I/COX-2-IN-1 inhibits COX-2 and Topo I with the IC₅₀ value of 0.24 μM and 4.42 μM, respectively. Topo I/COX-2-IN-1 can induce apoptosis and inhibit migration of cancer cells, has anti-cancer activity.

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

CAS No.: 3031418-84-2
Formula: C₂₁H₁₈ClFN₂O₃
Molecular Weight:400.83

Storage:

Please store the product under the recommended conditions in the Certificate of Analysis.

Data Sheet (278 KB)

Topo I/COX-2-IN-1 Chemical Structure

CAS No.: 3031418-84-2

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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
- In Vivo
Chemical Information
Purity & Documentation
References
Calculators
Help & FAQs
Classifications
Bioz

Biological Activity

Description

IC₅₀ & Target^[1]

Topoisomerase I

4.42 μM (IC₅₀)

All Topoisomerase Isoforms :

All Prostaglandin Receptor Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
CT26.WT	IC₅₀	3.04 μM Compound: 1H-30	Antiproliferative activity against mouse CT26.WT cells assessed as reduction in cell proliferation incubated for 48 hrs by MTT assay Antiproliferative activity against mouse CT26.WT cells assessed as reduction in cell proliferation incubated for 48 hrs by MTT assay	[PMID: 35868003]
HGC-27	IC₅₀	4.71 μM Compound: 1H-30	Antiproliferative activity against human HGC-27 cells assessed as reduction in cell proliferation incubated for 48 hrs by MTT assay Antiproliferative activity against human HGC-27 cells assessed as reduction in cell proliferation incubated for 48 hrs by MTT assay	[PMID: 35868003]
HT-29	IC₅₀	16.93 μM Compound: 1H-30	Antiproliferative activity against human HT-29 cells assessed as reduction in cell proliferation incubated for 48 hrs by MTT assay Antiproliferative activity against human HT-29 cells assessed as reduction in cell proliferation incubated for 48 hrs by MTT assay	[PMID: 35868003]
RKO	IC₅₀	3.12 μM Compound: 1H-30	Antiproliferative activity against human RKO cells assessed as reduction in cell proliferation incubated for 48 hrs by MTT assay Antiproliferative activity against human RKO cells assessed as reduction in cell proliferation incubated for 48 hrs by MTT assay	[PMID: 35868003]
SGC-7901	IC₅₀	14.95 μM Compound: 1H-30	Antiproliferative activity against human SGC-7901 cells assessed as reduction in cell proliferation incubated for 48 hrs by MTT assay Antiproliferative activity against human SGC-7901 cells assessed as reduction in cell proliferation incubated for 48 hrs by MTT assay	[PMID: 35868003]

In Vitro

Topo I/COX-2-IN-1 (1H-30) (0-100 μM, 24 h) has anti-tumor cell proliferation activity and can induce apoptosis by increasing caspase-3 activity in a dose-dependent manner^[1].
Topo I/COX-2-IN-1 (1H-30) (0.04-0.37 μM, 48 h) shows a significant decrease in cell migration at 0.37 μM and reduces the expression of MMP-9 (matrix metalloproteinases) in HGC-27 and RKO cells^[1].
Topo I/COX-2-IN-1 (1H-30) (10 μM, 48 h) can inhibit the activation of NF-κB pathway in cancer cells^[1].

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

Cell Proliferation Assay^[1]

Cell Line:

Colon cancer cell lines HGC-27, RKO, HT-29, SGC-7901, and CT26.WT
Concentration:

0-100 μM
Incubation Time:
Result:

Inhibited the proliferation of CT26.WT, RKO, HT-29, HGC-27 and SGC-7901 cells with the IC₅₀ values of 3.04, 3.12, 16.93, 4.71 and 14.95 μM, respectively.

Apoptosis Analysis^[1]

Cell Line:

HGC-27, RKO cell lines
Concentration:

1.1 μM, 3.3 μM, 10 μM
Incubation Time:

24 hours
Result:

Increased caspase-3 positive cells to 55.94% and 69.46 % at 10 μM comparing to 1.08% and 9.39% in the untreated group in RKO and HGC-27 cells respectively.

Cell Cycle Analysis^[1]

Cell Line:

HGC-27, RKO cell lines
Concentration:

1.1 μM, 3.3 μM, 10 μM
Incubation Time:
Result:

Induced blocked in G2/M phase significantly.

In Vivo

Topo I/COX-2-IN-1 (1H-30) (intraperitoneal injection, 100 mg/kg, twice a day, 14 days) may inhibit tumor growth by increasing the expression of caspase-3 and decreasing MMP-9 and COX-2 in tumor tissues to induce apoptosis in BALB/c mice model infected with CT26.WT colon cancer cells^[1].

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

Animal Model:

BALB/c mice model infected with CT26.WT colon cancer cells^[1]
Dosage:

100 mg/kg
Administration:

Intraperitoneal injection; twice a day; 14 days
Result:

Significant reduction in tumor size and tumor weight and no significant differences in body weight, organs.

Animal Model:

SD rats^[1]
Dosage:

100 mg/kg
Administration:

Intraperitoneal injection; once
Result:

b>The pharmacokinetic parameters of Topo I/COX-2-IN-1 (1H-30)

Parameter Topo I/COX-2-IN-1 (1H-30)

t_1/2 1.56 h

T_max 0.67 h

C_max 20.19 μg/mL

AUC_0-t 18.20 mg/L•h

AUC_{0‑inf_obs} 18.60 mg/L•h

Chemical Information

CAS No. 3031418-84-2
Molecular Weight 400.83
Formula C₂₁H₁₈ClFN₂O₃
SMILES

CC1=C(C=CC=C1NC2=CC=C(C=C2C(NCC3=CC=C(C(O)=C3)O)=O)F)Cl
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (278 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]. Junfang Li, et al. N-2-(Phenylamino) Benzamide Derivatives as Dual Inhibitors of COX-2 and Topo I Deter Gastrointestinal Cancers via Targeting Inflammation and Tumor Progression. J Med Chem. 2022 Jul 22. [Content Brief]

Calculators

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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.

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Biological Activity
- Description
- IC₅₀ & Target
- In Vitro
- In Vivo
Chemical Information
Purity & Documentation
References

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Parameter	Topo I/COX-2-IN-1 (1H-30)
t_1/2	1.56 h
T_max	0.67 h
C_max	20.19 μg/mL
AUC_0-t	18.20 mg/L•h
AUC_{0‑inf_obs}	18.60 mg/L•h

Topo I/COX-2-IN-1

All Topoisomerase Isoforms

All Prostaglandin Receptor Isoforms

Biological Activity

Chemical Information

Purity & Documentation

References

Calculators

Help & FAQs

Topo I/COX-2-IN-1 Related Classifications

HY-150685 Related Classifications