Cat. No.: HY-181717

TKL002

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TKL002 is a blood-brain barrier-permeable inhibitor of the CTH/H₂S/NF-κB/EMT signaling axis. TKL002 induces G₂/M phase cell cycle arrest and apoptosis in glioblastoma cells. TKL002 inhibits the migration and invasion of glioblastoma cells by upregulating E-cadherin and downregulating N-cadherin and vimentin. TKL002 is applicable to relevant research on glioblastoma.

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

Purity: 98.08%
CAS No.: 3098518-95-4
Formula: C₂₁H₂₀F₄N₄O
Molecular Weight:420.40

Storage:

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

TKL002 Chemical Structure

CAS No.: 3098518-95-4

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

Biological Activity

Description

IC₅₀ & Target^[1]

NF-κB

Caspase 3

Bax

Bcl-2

All NF-κB Isoforms :

All Caspase Isoforms :

All Bcl-2 Family Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
LNCaP	IC₅₀	1.62 μM Compound: 7d	Cytotoxicity against human LNCaP cells assessed as inhibition of cell viability incubated for 48 hrs by MTT assay Cytotoxicity against human LNCaP cells assessed as inhibition of cell viability incubated for 48 hrs by MTT assay	[PMID: 39908792]

In Vitro

TKL002 (0.625-10 μmol/L; 24-72 h) potently inhibits the proliferation of U87MG, U118MG, and U251MG glioblastoma cells in a dose- and time-dependent manner with selectivity over normal LX2 cells, exhibiting IC₅₀ values ranging from 4.141 to 6.506 μmol/L across cell lines and time points^[1].
TKL002 (6 μmol/L; 48 h) induces late apoptosis in U87MG glioblastoma cells, mediated via upregulation of Bax and caspase-3 and downregulation of Bcl-2 and active-caspase-3^[1].
TKL002 (2-6 μmol/L; 24 h) induces G₂/M phase cell cycle arrest in U87MG and U118MG glioblastoma cells in a concentration-dependent manner, with maximum G₂/M fractions of 22.68% and 30.31% at 6 μmol/L respectively^[1].
TKL002 (2-6 μmol/L; 48 h) reduces CTH, cysteine, and H₂S levels, increases GSH levels, and inhibits NF-κB signaling and pro-inflammatory cytokine expression in U87MG and U118MG glioblastoma cells in vitro in a dose-dependent manner^[1].
TKL002 (2-6 μmol/L; 48 h) inhibits migration and invasion of U87MG and U118MG glioblastoma cells in a dose-dependent manner, mediated via upregulation of E-cadherin and downregulation of N-cadherin and vimentin to suppress epithelial-mesenchymal transition^[1].

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

Apoptosis Analysis^[1]

Cell Line:

U87MG
Concentration:

2, 4, 6 μM
Incubation Time:

48 h
Result:

Increased late apoptosis to 22.63%.

Cell Cycle Analysis^[1]

Cell Line:

U87MG, U118MG glioblastoma cells
Concentration:

2, 4, 6 μM
Incubation Time:

24 h
Result:

Increased the G₂/M phase fraction in a concentration-dependent manner.

Cell Migration Assay ^[1]

Cell Line:

U87MG, U118MG glioblastoma cells
Concentration:

2, 4, 6 μM
Incubation Time:

48 h
Result:

Inhibited GBM cell migration.

Cell Invasion Assay^[1]

Cell Line:

U87MG, U118MG glioblastoma cells
Concentration:

2, 4, 6 μM
Incubation Time:

48 h
Result:

Inhibited GBM cell invasion.

In Vivo

TKL002 (5-20 mg/kg; i.p.; once every other day, 7 total administrations) inhibits the growth of subcutaneous glioblastoma xenografts in a dose-dependent manner^[1].
TKL002 (10-20 mg/kg; i.v., once every three days for a total of 5 administrations) can cross the blood-brain barrier, inhibit the growth of orthotopic glioblastoma in a dose-dependent manner, reduce tumor burden, maintain the physical condition of mice, and cause no obvious organ toxicity^[1].

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

Animal Model:

BALB/c nude (male, 4−5 weeks old, 16−18 g, subcutaneous xenograft model)^[1]
Dosage:

5 mg/kg; 20 mg/kg
Administration:

i.p.; every other day; 7 total doses
Result:

Reduced mean subcutaneous tumor weight to 1.117 g (5 mg/kg) and 0.530 g, compared to 1.458 g in vehicle control.
Achieved similar tumor weight and volume reduction as 5 mg/kg temozolomide at 20 mg/kg.
Showed dose-dependent reductions in splenic index.
Caused minimal pathological changes in liver, spleen, and kidney; no significant changes in heart, liver, lung, or kidney indices.

Animal Model:

BALB/c nude (male, 4−5 weeks old, 16−18 g, orthotopic xenograft model)^[1]
Dosage:

10 mg/kg; 20 mg/kg
Administration:

i.v. via tail vein; every 3 days; 5 total doses
Result:

Reduced in vivo bioluminescent signal intensity to 13.62×10⁴ photons/s (10 mg/kg) and 8.52×10⁴ photons/s (20 mg/kg) on days 15 and 20, versus 25.21×10⁴ photons/s in vehicle control.
Reduced ex vivo tumor bioluminescent signal intensity to 21.48×10⁴ photons/s (10 mg/kg) and 9.20×10⁴ photons/s (20 mg/kg), versus 63.88×10⁴ photons/s in controls.
Maintained normal body condition in 20 mg/kg group, while control mice exhibited weight loss, reduced activity, and cachexia.
Showed marked, dose-dependent reductions in CTH-positive tumor area, with the 20 mg/kg group showing the most pronounced decrease.
Showed a higher survival rate in the 20 mg/kg group, though the difference was not statistically significant.
Caused no significant differences in organ indices among groups.

Chemical Information

CAS No. 3098518-95-4
Appearance Solid
Molecular Weight 420.40
Formula C₂₁H₂₀F₄N₄O
Color Light yellow to yellow
SMILES

COC1=CC=C(C2=C1)N=C(C=C2C(F)(F)F)NC3=CC=C(C(F)=C3)N4CCNCC4
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

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (276 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]. Luo Z, et al. Hijacking the Hydrogen Sulfide Axis: A Novel 4-Trifluoromethylquinoline Derivative Suppresses Glioblastoma via Cystathionine γ-Lyase Suppression. J Med Chem. 2026;69(3):3457-3476. [Content Brief]

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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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TKL002

Apoptosis Compound Library

Immunology/Inflammation Compound Library

NF-κB Signaling Compound Library

Stem Cell Signaling Compound Library

Anti-Cancer Compound Library

CNS-Penetrant Compound Library

Anti-Aging Compound Library

Antioxidant Compound Library

Differentiation Inducing Compound Library

Oxygen Sensing Compound Library

Pyroptosis Compound Library

Cytoskeleton Compound Library

Anti-Breast Cancer Compound Library

Anti-Pancreatic Cancer Compound Library

Anti-Blood Cancer Compound Library

Anti-Cancer Metabolism Compound Library

Anti-Obesity Compound Library

Mitochondria-Targeted Compound Library

Transcription Factor-Targeted Library

Anti-Liver Cancer Compound Library

Antidepressant Compound Library

Anti-Prostate Cancer Compound Library

Cancer Stem Cells Compound Library

Pain-Related Compound Library

Cell Death Library

Anti-Hematopathy Compound Library

Anti-Ovarian Cancer Compound Library

Multi-Target Compound Library

Radioprotector Library

Mitophagy Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

Anti-Fibrosis Compound Library

Non-Alcoholic Fatty Liver Disease (NAFLD) Compound Library

Cell Proliferation Compound Library

High-Throughput Bioactive Compound Library

Lactylation Compound Library

All NF-κB Isoforms

All Caspase Isoforms

All Bcl-2 Family Isoforms

Biological Activity

Chemical Information

Purity & Documentation

References

Calculators

Help & FAQs

TKL002 Related Classifications

HY-181717 Related Classifications