Cat. No.: HY-N6966A

Ethyl trans-caffeate

Name: Ethyl trans-caffeate
Brand: MedChemExpress
SKU: HY-N6966A
Price: 90.00 USD
Availability: InStock
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Ethyl trans-caffeate is a matrix metalloproteinase inhibitor (MMP-1, MMP-2, MMP-9). Ethyl trans-caffeate can be isolated from Artemisia aucheri. Ethyl trans-caffeate binds to the SARS-CoV-2 main protease by forming a hydrogen bond with Thr190. The PMK extract of Pandanus tectorius fruit containing Ethyl trans-caffeate inhibits HMG-CoA reductase activity. Ethyl trans-caffeate can be used in research on COVID-19 and atherosclerosis.

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

Purity : 98.0%
CAS No.: 66648-50-8
Formula: C₁₁H₁₂O₄
Molecular Weight:208.21

Storage:

-20°C, protect from light

* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)

Ethyl trans-caffeate Chemical Structure

CAS No.: 66648-50-8

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Fluorescent Dye

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

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

Biological Activity

Description

IC₅₀ & Target

^[1]

MMP-9

MMP-1

MMP-2

All MMP Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
A549	IC₅₀	7.22 μM Compound: 2b	Cytotoxicity against human A549 cells after 72 hrs by alamar blue assay Cytotoxicity against human A549 cells after 72 hrs by alamar blue assay	[PMID: 22954735]
BeWo	IC₅₀	6.2 μM Compound: I-2	Antitumor activity against human Bewo cells assessed as inhibition of cell growth by MTT assay Antitumor activity against human Bewo cells assessed as inhibition of cell growth by MTT assay	[PMID: 25160837]
BV-2	IC₅₀	2.5 μM Compound: 24	Antiinflammatory activity in C57BL6/J mouse BV2 cells assessed as inhibition of LPS-induced nitric oxide production after 24 hrs by Griess assay Antiinflammatory activity in C57BL6/J mouse BV2 cells assessed as inhibition of LPS-induced nitric oxide production after 24 hrs by Griess assay	[PMID: 26110443]
Calu-1	IC₅₀	17.2 μM Compound: 2b	Cytotoxicity against human Calu1 cells after 72 hrs by alamar blue assay Cytotoxicity against human Calu1 cells after 72 hrs by alamar blue assay	[PMID: 22954735]
EA.hy 926	EC₅₀	11.6 μM Compound: Ethyl caffeate	Cytoprotective activity against H2O2-induced cytotoxicity in human EAhy926 cells pre-incubated for 24 hrs before H2O2 challenge for 12 hrs by MTT assay Cytoprotective activity against H2O2-induced cytotoxicity in human EAhy926 cells pre-incubated for 24 hrs before H2O2 challenge for 12 hrs by MTT assay	10.1039/C4MD00022F
HeLa	IC₅₀	1.96 μM Compound: 2b	Cytotoxicity against human HeLa cells after 72 hrs by alamar blue assay Cytotoxicity against human HeLa cells after 72 hrs by alamar blue assay	[PMID: 22954735]
HeLa	IC₅₀	23.27 μM Compound: I-2	Antitumor activity against human HeLa cells assessed as inhibition of cell growth by MTT assay Antitumor activity against human HeLa cells assessed as inhibition of cell growth by MTT assay	[PMID: 25160837]
HepG2	GI₅₀	17.21 μM Compound: 27	Cytotoxicity against human HepG2 cells by SRB assay Cytotoxicity against human HepG2 cells by SRB assay	[PMID: 19476336]
HepG2	IC₅₀	63.95 μM Compound: I-2	Antitumor activity against human HepG2 cells assessed as inhibition of cell growth by MTT assay Antitumor activity against human HepG2 cells assessed as inhibition of cell growth by MTT assay	[PMID: 25160837]
HL-60	IC₅₀	8.94 μM Compound: I-2	Antitumor activity against human HL60 cells assessed as inhibition of cell growth by MTT assay Antitumor activity against human HL60 cells assessed as inhibition of cell growth by MTT assay	[PMID: 25160837]
HOP-62	IC₅₀	12.5 μM Compound: 2b	Cytotoxicity against human HOP62 cells after 72 hrs by alamar blue assay Cytotoxicity against human HOP62 cells after 72 hrs by alamar blue assay	[PMID: 22954735]
HT-22	EC₅₀	1.9 μM Compound: 28	Neuroprotective activity against glutamate-induced cell death in mouse HT-22 cells assessed as increase in cell viability after 24 hrs by EZ-Cytox assay Neuroprotective activity against glutamate-induced cell death in mouse HT-22 cells assessed as increase in cell viability after 24 hrs by EZ-Cytox assay	[PMID: 32991171]
LNCaP	IC₅₀	>100 μM Compound: 4	Cytotoxicity against human LNCAP cells assessed as reduction in cell viability after 24 hrs by WST-1 assay Cytotoxicity against human LNCAP cells assessed as reduction in cell viability after 24 hrs by WST-1 assay	[PMID: 24080105]
LOX IMVI	IC₅₀	6.21 μM Compound: 2b	Cytotoxicity against human LOXIMVI cells after 72 hrs by alamar blue assay Cytotoxicity against human LOXIMVI cells after 72 hrs by alamar blue assay	[PMID: 22954735]
M14	IC₅₀	9.82 μM Compound: 2b	Cytotoxicity against human M14 cells after 72 hrs by alamar blue assay Cytotoxicity against human M14 cells after 72 hrs by alamar blue assay	[PMID: 22954735]
NCI-H1299	IC₅₀	4.93 μM Compound: 2b	Cytotoxicity against human NCI-H1299 cells after 72 hrs by alamar blue assay Cytotoxicity against human NCI-H1299 cells after 72 hrs by alamar blue assay	[PMID: 22954735]
NCI-H157	IC₅₀	7.62 μM Compound: 2b	Cytotoxicity against human NCI-H157 cells after 72 hrs by alamar blue assay Cytotoxicity against human NCI-H157 cells after 72 hrs by alamar blue assay	[PMID: 22954735]
NCI-H1792	IC₅₀	18.4 μM Compound: 2b	Cytotoxicity against human NCI-H1792 cells after 72 hrs by alamar blue assay Cytotoxicity against human NCI-H1792 cells after 72 hrs by alamar blue assay	[PMID: 22954735]
NCI-H460	IC₅₀	13.1 μM Compound: 2b	Cytotoxicity against human H460 cells after 72 hrs by alamar blue assay Cytotoxicity against human H460 cells after 72 hrs by alamar blue assay	[PMID: 22954735]
Oocyte	IC₅₀	246 μM Compound: Caf-COOEt	Antagonist activity at Gloeobacter violaceus ligand-gated ion channel expressed in Xenopus oocytes assessed as inhibition of MES buffer pH 5.5 -induced currents after 30 secs by voltage clamp technique Antagonist activity at Gloeobacter violaceus ligand-gated ion channel expressed in Xenopus oocytes assessed as inhibition of MES buffer pH 5.5 -induced currents after 30 secs by voltage clamp technique	[PMID: 23682762]
RAW264.7	EC₅₀	121.7 μM Compound: 3, ethyl caffeate	Cytotoxicity against mouse RAW264.7 cells assessed as cell survival after 24 hrs by MTT assay Cytotoxicity against mouse RAW264.7 cells assessed as cell survival after 24 hrs by MTT assay	[PMID: 18667320]
RAW264.7	EC₅₀	3.183 μM Compound: 3, ethyl caffeate	Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells assessed as nitrite accumulation administered 1 hr before LPS challenge and measured after 24 hrs by Griess reagent assay Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells assessed as nitrite accumulation administered 1 hr before LPS challenge and measured after 24 hrs by Griess reagent assay	[PMID: 18667320]
RAW264.7	IC₅₀	2 μM Compound: 30	Antiinflammatory activity against LPS-stimulated mouse RAW264.7 cells assessed as decrease in PGE2 production preincubated for 1 hr followed by LPS stimulation and measured after 24 hrs by ELISA Antiinflammatory activity against LPS-stimulated mouse RAW264.7 cells assessed as decrease in PGE2 production preincubated for 1 hr followed by LPS stimulation and measured after 24 hrs by ELISA	[PMID: 31747281]
SGC-7901	IC₅₀	>100 μM Compound: I-2	Antitumor activity against human SGC7901 cells assessed as inhibition of cell growth by MTT assay Antitumor activity against human SGC7901 cells assessed as inhibition of cell growth by MTT assay	[PMID: 25160837]
SiHa	IC₅₀	34.09 μM Compound: I-2	Antitumor activity against human SiHa cells assessed as inhibition of cell growth by MTT assay Antitumor activity against human SiHa cells assessed as inhibition of cell growth by MTT assay	[PMID: 25160837]

In Vitro

Ethyl trans-caffeate has a docking score of −5.356 kcal/mol against the SARS-CoV-2 main protease (PDB ID: 6LU7) and forms one hydrogen bond with Thr190, supporting its potential as a candidate agent for COVID-19 prevention^[1].
The PMK extract of Pandanus tectorius fruit (100 μg/mL) containing Ethyl trans-caffeate inhibits HMG-CoA reductase activity^[2].

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

Chemical Information

CAS No. 66648-50-8
Appearance Solid
Molecular Weight 208.21
Formula C₁₁H₁₂O₄
Color Light yellow to orange
SMILES

O=C(/C=C/C1=CC=C(C(O)=C1)O)OCC
Initial Source
- Plants
- Compositae
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

-20°C, protect from light

* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)

Solvent & Solubility

In Vitro:

DMSO : ≥ 100 mg/mL (480.28 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

* "≥" means soluble, but saturation unknown.

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

4.8028 mL

24.0142 mL

48.0284 mL

5 mM

0.9606 mL

4.8028 mL

9.6057 mL

10 mM

0.4803 mL

2.4014 mL

4.8028 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 (protect from light). 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)

Mass Mass

Concentration Concentration

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Molecular Weight Molecular Weight

Dilution Calculator

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Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (272 KB)
SDS (392 KB)
- English - EN (392 KB)
- Français - FR (392 KB)
- Deutsch - DE (392 KB)
- Norwegian - NO (392 KB)
- Español - ES (392 KB)
- Swedish - SV (392 KB)
- Italian - IT (392 KB)
- Korean - KR (392 KB)
- Portuguese - PT (392 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]. Kanbarkar N. Matrix metalloproteinase inhibitors identified from Camellia sinensis for COVID-19 prophylaxis: an in silico approach: N. Kanbarkar, S. Mishra. Advances in Traditional Medicine. 2021 Mar;21(1):173-88.

[2]. Andriani Y, Pangestika I, Oksal E, et al. Anti-atherosclerosis potency of Pandanus tectorius fruit rich by trangeretin and ethyl trans-caffeate, and their cytotoxicity against HepG2 cell line[C]//IOP Conference Series: Materials Science and Engineering. IOP Publishing, 2019, 509(1): 012155.

[3]. Medrano-Padial C. Bioaccessible Phenolic Alkyl Esters of Wine Lees Decrease COX-2-Catalyzed Lipid Mediators of Oxidative Stress and Inflammation in a Time-Dependent Manner. Journal of agricultural and food chemistry. 2024 Aug 15;72(34):19016.

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

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	4.8028 mL	24.0142 mL	48.0284 mL	120.0711 mL
	5 mM	0.9606 mL	4.8028 mL	9.6057 mL	24.0142 mL
	10 mM	0.4803 mL	2.4014 mL	4.8028 mL	12.0071 mL
	15 mM	0.3202 mL	1.6009 mL	3.2019 mL	8.0047 mL
	20 mM	0.2401 mL	1.2007 mL	2.4014 mL	6.0036 mL
	25 mM	0.1921 mL	0.9606 mL	1.9211 mL	4.8028 mL
	30 mM	0.1601 mL	0.8005 mL	1.6009 mL	4.0024 mL
	40 mM	0.1201 mL	0.6004 mL	1.2007 mL	3.0018 mL
	50 mM	0.0961 mL	0.4803 mL	0.9606 mL	2.4014 mL
	60 mM	0.0800 mL	0.4002 mL	0.8005 mL	2.0012 mL
	80 mM	0.0600 mL	0.3002 mL	0.6004 mL	1.5009 mL
	100 mM	0.0480 mL	0.2401 mL	0.4803 mL	1.2007 mL

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Ethyl trans-caffeate

All MMP Isoforms