Cat. No.: HY-177796

TMLB-C16

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Based on 1 Customer Validation

TMLB-C16 is a potent and orally active B3GAT3 inhibitor with a K_D of 3.962 μM. TMLB-C16 suppresses proliferation and migration, and induces cell cycle arrest and apoptosis in MHCC-97H (IC₅₀ = 6.53 μM) and HCCLM3 cells (IC₅₀ = 6.22 μM). TMLB-C16 inhibits tumor growth in both MHCC-97H and HCCLM3 xenograft tumor mouse models without causing obvious toxicity. TMLB-C16 can be used for hepatocellular carcinoma research.

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

Purity: 99.27%
CAS No.: 2923531-50-2
Formula: C₂₃H₂₀ClN₃O₅
Molecular Weight:453.88

Storage:

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

TMLB-C16 Chemical Structure

CAS No.: 2923531-50-2

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Use of MCE Products

Fluorescent Dye

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

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

Biological Activity

Description

All CDK Isoforms :

All Caspase Isoforms :

All PARP Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
AGS	IC₅₀	5.33 μM Compound: TMLB-C16	Anti-tumor activity against human AGS cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay Anti-tumor activity against human AGS cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay	[PMID: 38919032]
Calu-3	IC₅₀	41.64 μM Compound: TMLB-C16	Anti-tumor activity against human Calu-3 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay Anti-tumor activity against human Calu-3 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay	[PMID: 38919032]
H4	IC₅₀	6.65 μM Compound: TMLB-C16	Anti-tumor activity against human H4 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay Anti-tumor activity against human H4 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay	[PMID: 38919032]
HCC1937	IC₅₀	47.89 μM Compound: TMLB-C16	Anti-tumor activity against human HCC1937 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay Anti-tumor activity against human HCC1937 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay	[PMID: 38919032]
HCCLM3	IC₅₀	18.35 μM Compound: TMLB-C16	Antitumor activity against human HCCLM3 cells assessed as inhibition of cell proliferation measured after 72 hrs by CCK-8 assay Antitumor activity against human HCCLM3 cells assessed as inhibition of cell proliferation measured after 72 hrs by CCK-8 assay	[PMID: 38919032]
HCCLM3	IC₅₀	6.22 μM Compound: TMLB-C16	Antitumor activity against human HCCLM3 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay Antitumor activity against human HCCLM3 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay	[PMID: 38919032]
Hep 3B2	IC₅₀	12.19 μM Compound: TMLB-C16	Antitumor activity against human Hep3B cells assessed as inhibition of cell proliferation measured after 72 hrs by CCK-8 assay Antitumor activity against human Hep3B cells assessed as inhibition of cell proliferation measured after 72 hrs by CCK-8 assay	[PMID: 38919032]
HT-29	IC₅₀	4.71 μM Compound: TMLB-C16	Anti-tumor activity against human HT-29 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay Anti-tumor activity against human HT-29 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay	[PMID: 38919032]
Huh-7	IC₅₀	12.54 μM Compound: TMLB-C16	Antitumor activity against human Huh-7 cells assessed as inhibition of cell proliferation measured after 72 hrs by CCK-8 assay Antitumor activity against human Huh-7 cells assessed as inhibition of cell proliferation measured after 72 hrs by CCK-8 assay	[PMID: 38919032]
Jurkat	IC₅₀	6.69 μM Compound: TMLB-C16	Anti-tumor activity against human Jurkat cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay Anti-tumor activity against human Jurkat cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay	[PMID: 38919032]
K562	IC₅₀	8.25 μM Compound: TMLB-C16	Anti-tumor activity against human K562 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay Anti-tumor activity against human K562 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay	[PMID: 38919032]
MDA-MB-231	IC₅₀	12.32 μM Compound: TMLB-C16	Anti-tumor activity against human MDA-M8-231 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay Anti-tumor activity against human MDA-M8-231 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay	[PMID: 38919032]
MEG-01	IC₅₀	11.48 μM Compound: TMLB-C16	Anti-tumor activity against human MEG-01 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay Anti-tumor activity against human MEG-01 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay	[PMID: 38919032]
MHCC97H	IC₅₀	17.02 μM Compound: TMLB-C16	Cytotoxicity against (shRNA)-mediated B3GAT3 KO human MHCC97H cells assessed as cell viability measured after 72 hrs by CCK8 assay Cytotoxicity against (shRNA)-mediated B3GAT3 KO human MHCC97H cells assessed as cell viability measured after 72 hrs by CCK8 assay	[PMID: 38919032]
MHCC97H	IC₅₀	18.87 μM Compound: TMLB-C16	Antitumor activity against human MHCC97H cells assessed as inhibition of cell proliferation measured after 72 hrs by CCK-8 assay Antitumor activity against human MHCC97H cells assessed as inhibition of cell proliferation measured after 72 hrs by CCK-8 assay	[PMID: 38919032]
MHCC97H	IC₅₀	6.53 μM Compound: TMLB-C16	Antitumor activity against human MHCC97H cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay Antitumor activity against human MHCC97H cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay	[PMID: 38919032]
MHCC97H	IC₅₀	6.92 μM Compound: TMLB-C16	Cytotoxicity against (shRNA)-Ctrl transfected human MHCC97H cells assessed as cell viability measured after 72 hrs by CCK8 assay Cytotoxicity against (shRNA)-Ctrl transfected human MHCC97H cells assessed as cell viability measured after 72 hrs by CCK8 assay	[PMID: 38919032]
MKN-45	IC₅₀	13.87 μM Compound: TMLB-C16	Anti-tumor activity against human MKN-45 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay Anti-tumor activity against human MKN-45 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay	[PMID: 38919032]
NCI-H1650	IC₅₀	21.56 μM Compound: TMLB-C16	Anti-tumor activity against human NCI-H1650 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay Anti-tumor activity against human NCI-H1650 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay	[PMID: 38919032]
NCI-H446	IC₅₀	11.58 μM Compound: TMLB-C16	Anti-tumor activity against human NCI-H446 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay Anti-tumor activity against human NCI-H446 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay	[PMID: 38919032]
PC-3	IC₅₀	13.7 μM Compound: TMLB-C16	Anti-tumor activity against human PC-3 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay Anti-tumor activity against human PC-3 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay	[PMID: 38919032]
PLC-PRF-5	IC₅₀	6.52 μM Compound: TMLB-C16	Antitumor activity against human PLC-PRF-5 cells assessed as inhibition of cell proliferation measured after 72 hrs by CCK-8 assay Antitumor activity against human PLC-PRF-5 cells assessed as inhibition of cell proliferation measured after 72 hrs by CCK-8 assay	[PMID: 38919032]
SK-OV-3	IC₅₀	98.74 μM Compound: TMLB-C16	Anti-tumor activity against human SK-OV-3 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay Anti-tumor activity against human SK-OV-3 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay	[PMID: 38919032]
SNU-387	IC₅₀	11.71 μM Compound: TMLB-C16	Antitumor activity against human SNU-387 cells assessed as inhibition of cell proliferation measured after 72 hrs by CCK-8 assay Antitumor activity against human SNU-387 cells assessed as inhibition of cell proliferation measured after 72 hrs by CCK-8 assay	[PMID: 38919032]
SW-620	IC₅₀	8.66 μM Compound: TMLB-C16	Anti-tumor activity against human SW620 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay Anti-tumor activity against human SW620 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay	[PMID: 38919032]
THLE-2	IC₅₀	>20 μM Compound: TMLB-C16	Antitumor activity against human THLE-2 cells assessed as inhibition of cell proliferation measured after 72 hrs by CCK-8 assay Antitumor activity against human THLE-2 cells assessed as inhibition of cell proliferation measured after 72 hrs by CCK-8 assay	[PMID: 38919032]
THP-1	IC₅₀	23.91 μM Compound: TMLB-C16	Anti-tumor activity against human THP-1 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay Anti-tumor activity against human THP-1 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay	[PMID: 38919032]
U-251	IC₅₀	6.16 μM Compound: TMLB-C16	Anti-tumor activity against human U-251MG cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay Anti-tumor activity against human U-251MG cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay	[PMID: 38919032]
U-937	IC₅₀	5.99 μM Compound: TMLB-C16	Anti-tumor activity against human U-937 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay Anti-tumor activity against human U-937 cells assessed as inhibition of cell growth measured after 72 hrs by CCK-8 assay	[PMID: 38919032]

In Vitro

TMLB-C16 (72 h) demonstrates broad antitumor activities in 13 B3GAT3 high expressed cancer cell lines (such as NCI-H460, NCI-H1650, and Calu3 cells) in a B3GAT3-dependent manner, with IC₅₀ values below 20 μM^[1].
TMLB-C16 (0-10 μM, 14 days) prevents colony formation in a dose-dependent manner in MHCC-97H and HCCLM3 cells^[1].
TMLB-C16 (0-10 μM, 24 h) inhibits cell migration and inhibits cell division in MHCC-97H and HCCLM3 cells^[1].
TMLB-C16 (0-10 μM, 48 h) induces G0/G1-phase cell cycle arrest and apoptosis in MHCC-97H and HCCLM3 cells in a dose-dependent manner, accompanied by enhanced p21, p53, and retinoblastoma-associated protein (Rb) levels and decreased CDK6, cyclin E1, and phosphorylated-Rb (p-Rb) levels^[1].

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

Cell Proliferation Assay^[1]

Cell Line:

MHCC-97H and HCCLM3 cells
Concentration:

0, 5, and 10 μM
Incubation Time:

14 days
Result:

Prevented colony formation in a dose-dependent manner.

Cell Migration Assay ^[1]

Cell Line:

MHCC-97H and HCCLM3 cells
Concentration:

0, 5, and 10 μM
Incubation Time:

24 h
Result:

Suppressed the wound healing of MHCC-97H and HCCLM3 cells from about 22.22% to 0.86% and 15.71% to 1.90%, respectively.

Cell Cycle Analysis^[1]

Cell Line:

MHCC-97H and HCCLM3 cells
Concentration:

0, 5, and 10 μM
Incubation Time:

24 h
Result:

Remarkably repressed the percentage of S-phase in MHCC-97H and HCCLM3 cells at the concentration of 10 and 5 μM, respectively, by accumulating cells in the G0/G1-phase.

Western Blot Analysis^[1]

Cell Line:

MHCC-97H and HCCLM3 cells
Concentration:

0, 5, and 10 μM
Incubation Time:

48 h
Result:

Induced expression of the epithelial surface marker E-cadherin as well as loss of the mesenchymal markers such as N-cadherin, vimentin, matrix metalloproteinase-2 (MMP-2), MMP-9, and zinc finger E-box-binding homeobox 1 (ZEB1).
Significantly enhanced expression of p21, p53, and Rb, and decreased CDK6, cyclin E1, and p-Rb in a dose-dependent manner.
Remarkably enhanced the expression levels of active c-PARP and c-caspase-3 in MHCC-97H and HCCLM3 cells.

Apoptosis Analysis^[1]

Cell Line:

MHCC-97H and HCCLM3 cells
Concentration:

0, 5, and 10 μM
Incubation Time:

48 h
Result:

Induced apoptosis at both tested concentrations.
Increased the early and late apoptotic rates in MHCC-97H at 5 μM by 8.09% and 6.21%, respectively.
Increased the early and late apoptotic rates in MHCC-97H at 10 μM by 29.93% and 15.77%, respectively.

In Vivo

TMLB-C16 (5, 10 and 20 mg/kg, i.g., daily from day 7 to day 31) inhibits tumor growth in both MHCC-97H and HCCLM3 xenograft tumor mouse models^[1].

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

Animal Model:

Male BALB/c nude mice (6-8 weeks) subcutaneously injected with MHCC-97H and HCCLM3 cells^[1]
Dosage:

5, 10 and 20 mg/kg
Administration:

i.g., daily from day 7 to day 31
Result:

Exhibited a dose-dependent tumor inhibition effect in MHCC-97H xenograft model with 70% and 73.49% tumor growth inhibition at doses of 10 and 20 mg/kg, respectively.
Exhibited a tumor growth inhibition rate of approximately 59% at the dose of 10 mg/kg in HCCLM3 xenograft model.

Chemical Information

CAS No. 2923531-50-2
Appearance Solid
Molecular Weight 453.88
Formula C₂₃H₂₀ClN₃O₅
Color White to off-white
SMILES

O=C(C1=CC2=C(NC=C2C(C(NC3C(N(CC3)C4=CC=C(C)C=C4Cl)=O)=O)=O)C=C1)OC
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 : 31.25 mg/mL (68.85 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

2.2032 mL

11.0161 mL

22.0323 mL

5 mM

0.4406 mL

2.2032 mL

4.4065 mL

10 mM

0.2203 mL

1.1016 mL

2.2032 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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Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (278 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]. Yin H, et al. Discovery of Novel 2-Oxoacetamide Derivatives as B3GAT3 Inhibitors for the Treatment of Hepatocellular Carcinoma. J Med Chem. 2024 Jul 11;67(13):10743-10773. [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	2.2032 mL	11.0161 mL	22.0323 mL	55.0806 mL
	5 mM	0.4406 mL	2.2032 mL	4.4065 mL	11.0161 mL
	10 mM	0.2203 mL	1.1016 mL	2.2032 mL	5.5081 mL
	15 mM	0.1469 mL	0.7344 mL	1.4688 mL	3.6720 mL
	20 mM	0.1102 mL	0.5508 mL	1.1016 mL	2.7540 mL
	25 mM	0.0881 mL	0.4406 mL	0.8813 mL	2.2032 mL
	30 mM	0.0734 mL	0.3672 mL	0.7344 mL	1.8360 mL
	40 mM	0.0551 mL	0.2754 mL	0.5508 mL	1.3770 mL
	50 mM	0.0441 mL	0.2203 mL	0.4406 mL	1.1016 mL
	60 mM	0.0367 mL	0.1836 mL	0.3672 mL	0.9180 mL

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TMLB-C16

Apoptosis Compound Library

Cell Cycle/DNA Damage Compound Library

Epigenetics Compound Library

Kinase Inhibitor Library

Anti-Cancer Compound Library

Anti-Aging Compound Library

Orally Active Compound Library

Anti-Breast Cancer Compound Library

Anti-Pancreatic Cancer Compound Library

Anti-Blood Cancer Compound Library

Anti-Liver Cancer Compound Library

Cancer Stem Cells Compound Library

Cell Death Library

Serine/Threonine Kinase Inhibitor 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

Protein Kinase Compound Library

Non-Alcoholic Fatty Liver Disease (NAFLD) Compound Library

Cell Proliferation Compound Library

High-Throughput Bioactive Compound Library

High-Efficiency Gene Editing Compound Library

All CDK Isoforms

All Caspase Isoforms

All PARP Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

TMLB-C16

Apoptosis Compound Library

Cell Cycle/DNA Damage Compound Library

Epigenetics Compound Library

Kinase Inhibitor Library

Anti-Cancer Compound Library

Anti-Aging Compound Library

Orally Active Compound Library

Anti-Breast Cancer Compound Library

Anti-Pancreatic Cancer Compound Library

Anti-Blood Cancer Compound Library

Anti-Liver Cancer Compound Library

Cancer Stem Cells Compound Library

Cell Death Library

Serine/Threonine Kinase Inhibitor 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

Protein Kinase Compound Library

Non-Alcoholic Fatty Liver Disease (NAFLD) Compound Library

Cell Proliferation Compound Library

High-Throughput Bioactive Compound Library

High-Efficiency Gene Editing Compound Library

All CDK Isoforms

All Caspase Isoforms

All PARP Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

TMLB-C16 Related Classifications

HY-177796 Related Classifications