Panoramica Specifications Nomi e identificatori Documentazione Advanced Data Taxonomic Classification Struttura 3D Obiettivi associati (umani) Obiettivi associati (non umani) Meccanismi d'azione Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Domande frequenti e articoli Citations of This Product Calcolatori di soluzioni Recensioni

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Why this grade

Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 324 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Panoramica

Caffeic Acid is an endogenous phenolic phytochemical compound that exists in plants and many foods. A major metabolite product upon hydrolization of chlorogenic acid caffeic acid inhibits a number of lipoxygenases such as 5-LO (5-lipoxygenase), in a non-competitive manner, and 12-LO (12-lipoxygenase) inhibiting leukotriene synthesis resulting in further inhibition of immunoregulation. Caffeic Acid has also been shown to inhibit arachidonic acid metabolism in platelets at high doses. It has been observed to stimulate prostaglandin synthesis at high doses. Caffeic Acid is an inhibitor of GST, ODC, Tyk and Xanthine Oxidase.An inhibitor of 5-LO and 12-LO.

Specifications

Sinonimi

(E)-3,4-dihydroxycinnamic acid | 3,4-Dihydroxycinnamic acid | 3,4-Dihydroxybenzeneacrylic acid | 3-(3,4-Dihydroxyphenyl)-2-propenoic acid

Specifiche e purezza

Moligand™, ≥99%

Meccanismi biochimici e fisiologici

A natural dietary phenolic compound found in plants that is an anti-oxidant. Inhibits the synthesis of leukotrienes that are involved in immunoregulation, inflammation and allergy. Inhibits Cu2+-induced LDL oxidation. Anti-oxidant phenolic compound found

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

INHIBITOR

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

508812950

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508812950

Sorrisi canonici

C1=CC(=C(C=C1C=CC(=O)O)O)O

IUPAC Name

(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

InChIKey

QAIPRVGONGVQAS-DUXPYHPUSA-N

INCHI

1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+

Isomeri SMILES

C1=CC(=C(C=C1/C=C/C(=O)O)O)O

WGK Germania

RTECS

GD8950000

CAS alternativo

501-16-6

Peso molecolare

180.16

Beilstein

1954563

Reaxy-Rn

2210883

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2210883&ln=

Documentazione

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Classe Cinnamic acids and derivatives
    - Subclass Hydroxycinnamic acids and derivatives

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Classe	Cinnamic acids and derivatives
Subclass	Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Hydroxycinnamic acids
Alternative Parents	Coumaric acids and derivatives Cinnamic acids Styrenes Catechols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Cinnamic acid - Coumaric acid or derivatives - Hydroxycinnamic acid - Catechol - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Descrizione	This compound belongs to the class of organic compounds known as hydroxycinnamic acids. These are compounds containing an cinnamic acid where the benzene ring is hydroxylated.
External Descriptors	Caffeate derivatives
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Struttura 3D

Obiettivi associati (umani)

MMP1 Tchem Interstitial collagenase (1 Activities)

Discover Target: MMP1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MMP9 Tchem Matrix metalloproteinase-9 (2 Activities)

Discover Target: MMP9

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MMP2 Tchem 72 kDa type IV collagenase (1 Activities)

Discover Target: MMP2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

F2 Tclin Thrombin (11687 Activities)

Discover Target: F2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

COMT Tclin Catechol O-methyltransferase (404 Activities)

Discover Target: COMT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)

Discover Target: AGTR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

Discover Target: PTGS2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

XDH Tclin Xanthine dehydrogenase (1038 Activities)

Discover Target: XDH

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AKR1B1 Tclin Aldose reductase (1404 Activities)

Discover Target: AKR1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PLA2G7 Tchem LDL-associated phospholipase A2 (1338 Activities)

Discover Target: PLA2G7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA3 Tclin Carbonic anhydrase III (753 Activities)

Discover Target: CA3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA6 Tclin Carbonic anhydrase VI (993 Activities)

Discover Target: CA6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLB Tchem DNA polymerase beta (23632 Activities)

Discover Target: POLB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APP Tclin Amyloid-beta A4 protein (8510 Activities)

Discover Target: APP

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLA Tclin Alpha-galactosidase A (5444 Activities)

Discover Target: GLA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ARSA Tbio Cerebroside-sulfatase (655 Activities)

Discover Target: ARSA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

Discover Target: GAA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA5B Tclin Carbonic anhydrase VB (957 Activities)

Discover Target: CA5B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA5A Tclin Carbonic anhydrase VA (1168 Activities)

Discover Target: CA5A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA14 Tclin Carbonic anhydrase XIV (1305 Activities)

Discover Target: CA14

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DUSP3 Tchem Dual specificity protein phosphatase 3 (1161 Activities)

Discover Target: DUSP3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTPN7 Tchem Protein-tyrosine phosphatase LC-PTP (886 Activities)

Discover Target: PTPN7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTPN11 Tchem Protein-tyrosine phosphatase 2C (2297 Activities)

Discover Target: PTPN11

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

Discover Target: NFKB1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SI Tchem Sucrase-isomaltase (84 Activities)

Discover Target: SI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA12 Tclin Carbonic anhydrase XII (6231 Activities)

Discover Target: CA12

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BACE1 Tchem Beta-secretase 1 (15641 Activities)

Discover Target: BACE1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA9 Tclin Carbonic anhydrase IX (8255 Activities)

Discover Target: CA9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)

Discover Target: MMP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Lot Number	Certificate Type	Data	Oggetto
H2624238	Certificate of Analysis	Aug 11, 2026	C108307
H2624237	Certificate of Analysis	Aug 11, 2026	C108307
H2624236	Certificate of Analysis	Aug 11, 2026	C108307
H2624233	Certificate of Analysis	Aug 11, 2026	C108307
C2605157	Certificate of Analysis	Mar 17, 2026	C108307
H2604005	Certificate of Analysis	Feb 28, 2026	C108307
C2621008	Certificate of Analysis	Feb 28, 2026	C108307
C2612365	Certificate of Analysis	Feb 28, 2026	C108307
C2612342	Certificate of Analysis	Feb 28, 2026	C108307
L2523044	Certificate of Analysis	Dec 30, 2025	C108307
C2525539	Certificate of Analysis	Mar 14, 2025	C108307
C2525540	Certificate of Analysis	Mar 14, 2025	C108307
C2525541	Certificate of Analysis	Mar 14, 2025	C108307
L2509034	Certificate of Analysis	Mar 14, 2025	C108307
C2525538	Certificate of Analysis	Mar 14, 2025	C108307
K2427807	Certificate of Analysis	Nov 09, 2024	C108307
K2427579	Certificate of Analysis	Nov 09, 2024	C108307
K2427578	Certificate of Analysis	Nov 09, 2024	C108307
J2408384	Certificate of Analysis	Sep 20, 2024	C108307
J2408383	Certificate of Analysis	Sep 20, 2024	C108307
J2408382	Certificate of Analysis	Sep 20, 2024	C108307
I2410060	Certificate of Analysis	May 16, 2024	C108307
E2428199	Certificate of Analysis	May 16, 2024	C108307
E2428184	Certificate of Analysis	May 16, 2024	C108307
E2428170	Certificate of Analysis	May 16, 2024	C108307
C2405287	Certificate of Analysis	Feb 02, 2024	C108307
C2405289	Certificate of Analysis	Feb 02, 2024	C108307
C2405286	Certificate of Analysis	Feb 02, 2024	C108307
C2405285	Certificate of Analysis	Feb 02, 2024	C108307
C2405301	Certificate of Analysis	Feb 02, 2024	C108307
C2405302	Certificate of Analysis	Feb 02, 2024	C108307
A2412099	Certificate of Analysis	Jan 20, 2024	C108307
H2330215	Certificate of Analysis	Aug 16, 2023	C108307
H2330216	Certificate of Analysis	Aug 16, 2023	C108307
H2330217	Certificate of Analysis	Aug 16, 2023	C108307
E2304229	Certificate of Analysis	Apr 01, 2023	C108307
D2328213	Certificate of Analysis	Apr 01, 2023	C108307
D2328205	Certificate of Analysis	Apr 01, 2023	C108307
D2328198	Certificate of Analysis	Apr 01, 2023	C108307
D2328187	Certificate of Analysis	Apr 01, 2023	C108307
D2328181	Certificate of Analysis	Apr 01, 2023	C108307
D2328178	Certificate of Analysis	Apr 01, 2023	C108307
B2328204	Certificate of Analysis	Mar 10, 2023	C108307
C2324482	Certificate of Analysis	Mar 07, 2023	C108307
C2324449	Certificate of Analysis	Mar 07, 2023	C108307
K2208080	Certificate of Analysis	Nov 16, 2022	C108307
K2208083	Certificate of Analysis	Nov 16, 2022	C108307
K2208084	Certificate of Analysis	Apr 07, 2021	C108307
L22151178	Certificate of Analysis	Apr 07, 2021	C108307

Solubilità	Soluble in DMSO (40 mg/mL), ethanol (25 mg/mL warm), DMF (~7 mg/mL), PBS, PH 7.2 (~0.65 mg/mL), hot water, ethyl acetate, Chloroform Hexane, and methanol.
Sensibilità	Moisture sensitive，Air sensitive
Punto di fusione (°C)	194-198°C
Peso molecolare	180.160 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	180.042 Da
Monoisotopic Mass	180.042 Da
Topological Polar Surface Area	77.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	212.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

Caffeic acid - Moligand™, ≥99% , CAS No.331-39-5

Storage & shipping

Quality documents

Literature proof

Panoramica

Specifications

Documentazione

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Recensioni dei clienti

📚 Citations by Application

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