Art. -Nr.: HY-N6005

Methyl caffeate

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Methyl caffeate is a phenylpropanoid, antibacterial agent, and Apoptosis-inducing agent. Methyl caffeate can be isolated from the flowers of peach Prunus persica (L.). Methyl caffeate upregulates the expression of pro-apoptotic proteins Bid, Bax and p53, and downregulates the expression of anti-apoptotic protein BCL-2. Methyl caffeate downregulates SASP factors. Methyl caffeate enhances glucose-stimulated insulin secretion. Methyl caffeate inhibits the growth of Gram-positive bacteria, Gram-negative bacteria, fungi, and Mycobacterium tuberculosis strains. Methyl caffeate can be used in studies related to breast cancer, type 2 diabetes, and tuberculosis.

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Reinheit: 99.89%
CAS. Nr.: 3843-74-1
Formel: C₁₀H₁₀O₄
Molecular Weight:194.18

Speicherung:

Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month

Methyl caffeate Chemical Structure

CAS. Nr.: 3843-74-1

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Biologische Aktivität
- Beschreibung
- IC₅₀ & Target
- Cellular Effect
- In Vitro
Chemical Information
Lösungsmittel & Löslichkeit
- In Vitro
- In Vivo
Reinheit & Dokumentation
Verweise
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

IC₅₀ & Target^[1]

Bax

Bcl-2

Alle Bcl-2 Family Isoform-spezifische Produkte anzeigen :

Cellular Effect

Cell Line	Type	Value	Description	References
A-431	IC₅₀	1.79 μg/mL Compound: 4a	Inhibitory concentration required against A 431 human epidermoid carcinoma cell line Inhibitory concentration required against A 431 human epidermoid carcinoma cell line	[PMID: 11354370]
A549	IC₅₀	7.54 μM Compound: 2a	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]
B16	IC₅₀	2.96 μg/mL Compound: 4a	Inhibitory concentration against B16 murine melanoma cell line Inhibitory concentration against B16 murine melanoma cell line	[PMID: 11354370]
BeWo	IC₅₀	17.27 μM Compound: I-1	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]
Calu-1	IC₅₀	5.5 μM Compound: 2a	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]
HCT-116	IC₅₀	3.01 μg/mL Compound: 4a	Inhibitory concentration against HCT 116 human colon cancer cell line Inhibitory concentration against HCT 116 human colon cancer cell line	[PMID: 11354370]
HeLa	IC₅₀	3.77 μM Compound: 2a	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	52.53 μM Compound: I-1	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	IC₅₀	81.55 μM Compound: I-1	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	7.5 μM Compound: 4	Cytotoxicity against human HL60 cells after 72 hrs by MTT assay Cytotoxicity against human HL60 cells after 72 hrs by MTT assay	[PMID: 15387667]
HL-60	IC₅₀	12.32 μM Compound: I-1	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	3.86 μM Compound: 2a	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-1080	IC₅₀	11.1 μM Compound: 4	Cytotoxicity against human HT1080 cells after 72 hrs by MTT assay Cytotoxicity against human HT1080 cells after 72 hrs by MTT assay	[PMID: 15387667]
KB	IC₅₀	>200 μM Compound: 1d	Antitumor activity against KB cells by MTT assay Antitumor activity against KB cells by MTT assay	[PMID: 17387015]
LNCaP	IC₅₀	>100 μM Compound: 3	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]
LoVo	IC₅₀	>40 μM Compound: 4	Cytotoxicity against human doxorubicin-resistant LoVo cells after 72 hrs by MTT assay Cytotoxicity against human doxorubicin-resistant LoVo cells after 72 hrs by MTT assay	[PMID: 15387667]
LoVo	IC₅₀	5.8 μM Compound: 4	Cytotoxicity against human LoVo cells after 72 hrs by MTT assay Cytotoxicity against human LoVo cells after 72 hrs by MTT assay	[PMID: 15387667]
LOX IMVI	IC₅₀	21.8 μM Compound: 2a	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	8.86 μM Compound: 2a	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	3.53 μM Compound: 2a	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	6.25 μM Compound: 2a	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	6.09 μM Compound: 2a	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	14.8 μM Compound: 2a	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	388 μM Compound: Caf-COOMe, methyl caffeate	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	3.199 μM Compound: 2, methyl 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	EC₅₀	367.5 μM Compound: 2, methyl 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	IC₅₀	>0.3 mM Compound: 31	Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced nitric oxide production after 24 hrs Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced nitric oxide production after 24 hrs	[PMID: 18986199]
RAW264.7	IC₅₀	>0.3 μM/mL Compound: 31	Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced nitric oxide production after 24 hrs Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced nitric oxide production after 24 hrs	[PMID: 18986199]
RAW264.7	IC₅₀	3.9 μM Compound: 29	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-1	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	60.26 μM Compound: I-1	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

Methyl caffeate (0.08-24.6 μM; 12-72 h) potently inhibits the viability of MCF-7 cells, with an IC₅₀ of 0.62 μM at 24 h; it shows weak cytotoxicity against A549, COLO320 and HepG-2 cells, and exhibits no toxicity to Vero cells even at concentrations as high as 24.6 μM^[1].
Methyl caffeate (1.23-2.46 μM; 24 h) induces dose-dependent DNA fragmentation in MCF-7 cells following 24 h of treatment at doses of 1.23 μM and 2.46 μM^[1].
Methyl caffeate (1.23-2.46 μM; 24 h) regulates the expression of apoptosis-related proteins in MCF-7 cells^[1].
Methyl caffeate (5-10 μM; 30 min preincubation, 1 h glucose stimulation) enhances glucose-stimulated insulin secretion in INS-1 rat insulinoma pancreatic β cells, with glucose stimulation indices of 4.01 at 5 μM and 5.34 at 10 μM^[2].
Methyl caffeate (2-20 μM; 24 h) suppresses specific SASP factors (IL-6, IL-1α, CXCL1, MCP-2) in a concentration-dependent manner in bleomycin-induced senescent BJ foreskin fibroblasts^[3].
Using the disk diffusion method, methyl caffeate (24 h for bacteria, 48 h for fungi) produces inhibition zones of varying sizes (0-22 mm) against tested Gram-positive bacteria, Gram-negative bacteria, and fungal strains, with the largest inhibition zone diameters observed against *Proteus vulgaris* MTCC 1771 and *Aspergillus flavus*^[4].
Methyl caffeate (1.56-500 μg/mL; 24 h (bacteria), 48-72 h (fungi)) inhibits the growth of tested bacteria and fungi in vitro, with MIC values ranging from 25 μg/mL (against *Klebsiella pneumoniae* (ESBL-3971)) to 500 μg/mL (against some bacterial and fungal strains)^[4].

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

Cell Cytotoxicity Assay^[1]

Cell Line:

human MCF-7, A549, COLO320, HepG-2, and Vero cells
Concentration:

0.08-2.46 μM; up to 24.6 μM (Vero cells, 24 h)
Incubation Time:

12 h, 24 h, 48 h, 72 h
Result:

Induced 67.4% cell death in MCF-7 cells at 2.46 μM and an IC₅₀ of 0.62 μM at 24 h.
Exhibited similar cytotoxicity against MCF-7 cells across 24 h, 48 h, and 72 h incubations with concentration-dependent activity (P < 0.05).
Showed weaker cytotoxicity against A549, COLO320, and HepG-2 cells at 24 h.
Caused no toxicity against Vero cells up to 24.6 μM.

Western Blot Analysis^[1]

Cell Line:

human MCF-7 cells
Concentration:

1.23-2.46 μM
Incubation Time:

24 h
Result:

Downregulated anti-apoptotic Bcl-2 protein and upregulated pro-apoptotic Bid and Bax proteins in a dose-dependent manner.
Upregulated cytochrome c levels.
Significantly increased p53, cleaved caspase-3, and cleaved PARP protein levels in a dose-dependent manner, while pro-caspase-3 and full-length PARP levels decreased.

Chemical Information

CAS. Nr. 3843-74-1
Appearance Solid
Molecular Weight 194.18
Formel C₁₀H₁₀O₄
Color White to off-white
SMILES

O=C(OC)/C=C/C1=CC=C(O)C(O)=C1
Structure Classification
- Phenylpropanoids
- Simple Phenylpropanols
- Phenols
- Polyphenols
Initial Source
Versand

Room temperature in continental US; may vary elsewhere.

Speicherung

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Lösungsmittel & Löslichkeit

In Vitro:

DMSO : 33.33 mg/mL (171.64 mM; ultrasonic and warming and heat to 60°C; 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

5.1499 mL

25.7493 mL

51.4986 mL

5 mM

1.0300 mL

5.1499 mL

10.2997 mL

10 mM

0.5150 mL

2.5749 mL

5.1499 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.

Molaritätsrechner

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

Mass Mass

Konzentration Konzentration

Volumen Volumen

Molecular Weight Molecular Weight

Verdünnungsrechner

Konzentration _{(Stammlösung)} × Volumen _{(Stammlösung)} = Konzentration _{(Ziellösung)} × Volumen _{(Ziellösung)}

Konzentration _{(Stammlösung)} Konzentration _{(Stammlösung)}

Volumen _{(Stammlösung)} Volumen _{(Stammlösung)}

Konzentration _{(Ziellösung)} Konzentration _{(Ziellösung)}

Volumen _{(Ziellösung)} Volumen _{(Ziellösung)}

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

Stock Solution Working Solution

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline

Solubility: ≥ 2.5 mg/mL (12.87 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.

Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)

Solubility: ≥ 2.5 mg/mL (12.87 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.

Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil

Solubility: ≥ 2.5 mg/mL (12.87 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

%
DMSO +

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
%
+
+
%
Tween-80 + +
%
Saline +

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Working solution concentration: 0.22 mg/mL

Reinheit & Dokumentation

Select Batch:

Reinheit: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (277 KB)
SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
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- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
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- Portuguese - PT (393 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)

Verweise

[1]. Balachandran C, et al. In vitro anticancer activity of methyl caffeate isolated from Solanum torvum Swartz. fruit. Chem Biol Interact. 2015;242:81-90. [Content Brief]

[2]. Lee D, et al. Methyl Caffeate Isolated from the Flowers of Prunus persica (L.) Batsch Enhances Glucose-Stimulated Insulin Secretion. Biomolecules. 2021 Feb 14;11(2):279. [Content Brief]

[3]. Lim H, et al. Methyl caffeate and some plant constituents inhibit age-related inflammation: effects on senescence-associated secretory phenotype (SASP) formation. Arch Pharm Res. 2017;40(4):524-535. [Content Brief]

[4]. Balachandran C, et al. Antimicrobial and Antimycobacterial Activities of Methyl Caffeate Isolated from Solanum torvum Swartz. Fruit. Indian J Microbiol. 2012;52(4):676-681. [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	5.1499 mL	25.7493 mL	51.4986 mL	128.7465 mL
	5 mM	1.0300 mL	5.1499 mL	10.2997 mL	25.7493 mL
	10 mM	0.5150 mL	2.5749 mL	5.1499 mL	12.8747 mL
	15 mM	0.3433 mL	1.7166 mL	3.4332 mL	8.5831 mL
	20 mM	0.2575 mL	1.2875 mL	2.5749 mL	6.4373 mL
	25 mM	0.2060 mL	1.0300 mL	2.0599 mL	5.1499 mL
	30 mM	0.1717 mL	0.8583 mL	1.7166 mL	4.2916 mL
	40 mM	0.1287 mL	0.6437 mL	1.2875 mL	3.2187 mL
	50 mM	0.1030 mL	0.5150 mL	1.0300 mL	2.5749 mL
	60 mM	0.0858 mL	0.4292 mL	0.8583 mL	2.1458 mL
	80 mM	0.0644 mL	0.3219 mL	0.6437 mL	1.6093 mL
	100 mM	0.0515 mL	0.2575 mL	0.5150 mL	1.2875 mL

Keywords

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Methyl caffeate

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Alle Bcl-2 Family Isoform-spezifische Produkte anzeigen

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

Methyl caffeate Related Classifications

HY-N6005 Related Classifications