Product name: β-Crocetin
Synonym name: CCrocetin methylester; Beta-Crocetin
Catalogue No.: BP2061
Cas No.: 25368-09-6
Formula: C₂₁H₂₆O₄
Mol Weight: 342.435
Botanical Source: Crocus sativus L.
Type of Compound: Diterpenoids

Purity: 95%~99%
Analysis Method: HPLC-DAD or/and HPLC-ELSD
Identification Method: Mass, NMR
Packing: Brown vial or HDPE plastic bottle

Storage: Store in a well closed container, protected from air and light. Put into refrigerate or freeze for long term storage.
Whenever 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℃. Generally, these will be useable for up to two weeks.

The product could be supplied from milligrams to grams
Inquire for bulk scale.


Chengdu Biopurify Phytochemicals Ltd. is a leading company in the research, development, manufacture and marketing of High Quality Phytochemicals and Extracts(especially Active Ingredients from Traditional Chinese Medicine，TCM), Natural Active Pharmaceutical Ingredients worldwide.
The main services:
A. Supply active ingredients and reference standards of TCM, from mgs to kgs scale
B. Custom extraction and purification, target Herb Active Ingredients
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E. TCM compounds library for drug screen,more than 3000 compounds available, many of them are rare and unique.

HPLC of β-Crocetin

Storage conditions：Short-term storage at 2~8℃, long-term storage at -20 ~ -80℃

Introduction/Overview

Crocetin methylester (CAS No.: 25368-09-6), also known as Transcrocetin, is one of the important active components in saffron (Crocus sativus L.), existing as the aglyconic form of sacrosic acid. In recent years, with the deepening of research in natural product pharmacology and neuropharmacology, monomethyl sacrose has attracted attention due to its unique bioactivity and good oral bioavailability. It not only demonstrates multi-target regulatory capability for the central nervous system (CNS) but also exhibits multiple pharmacological effects including anti-inflammation, anti-apoptosis, and anti-aging, showing broad application prospects in the treatment research of neurodegenerative diseases, cancer, and inflammatory diseases.

This review aims to systematically summarize the chemical structure and physicochemical properties of monomethyl saffron oxide, plant origin and extraction process, pharmacological activity and mechanism of action, druggability evaluation, and pharmacokinetic characteristics. Combined with its clinical application potential, it provides a comprehensive evaluation of the research progress of this natural product, aiming to provide theoretical support and reference for subsequent basic and clinical studies.

Chemical structure and physicochemical properties

Monomethyl safflate has the molecular formula C19H26O4 and a molecular weight of 342.4350, classified as a carotenoid derivative. Its structure is based on the dicarboxylic acid framework of saffaloic acid, forming monomethyl esters through carboxymethyl esterification, imparting high lipid solubility. Its chemical structure includes a conjugated double bond system, giving it unique optical properties and antioxidant activity.

In terms of physicochemical properties, the LogP value of monomethyl saffrate is 4.0991, indicating strong lipophilus, which helps penetrate cell membranes and the blood-brain barrier. The polar surface area (TPSA) is 63.6 Ų, indicating moderate molecular polarity that aids binding to protein targets. Low water solubility (0.0269 mg/mL) suggests limited solubility in the aqueous phase, which may affect the design of oral formulations. The hERG channel inhibition test was negative, indicating a low risk of cardiotoxicity. The Ames-induced mutagenic test scored 0.3, indicating a low genotoxicity risk and meeting safety requirements.

Plant Origins and Extraction Methods

Monomethyl saffron is mainly found in the style and stamens of saffron and is a hydrolysate product of various carotenoid compounds in saffron. As a traditional Chinese medicine and spice, saffron has a long history of use, with continuous optimization of extraction and purification techniques for its active ingredients.

Traditional extraction methods mostly use organic solvents (such as methanol, ethanol) extraction combined with liquid-liquid extraction and column chromatography separation to obtain high-purity monomethyl scarrate esters. Modern technologies such as ultrasound-assisted extraction and supercritical CO₂ extraction, due to their efficiency and environmental friendliness, are gradually being applied in the extraction process of monomethyl saffron acid. In addition, countercurrent chromatography and high-performance liquid chromatography (HPLC) techniques are widely used for the separation, purification, and quantitative analysis of this compound.

Optimizing the extraction process not only improves yield and purity but also lays the foundation for pharmacological research and formulation development of monomethyl saffrose.

Pharmacological activity research

Monomethyl saffrate exhibits diverse pharmacological activities, covering neuroprotection, anti-inflammatory, anti-tumor, and anti-aging aspects.

1. Neuroprotective effects

Monomethyl saffrate can cross the blood-brain barrier and act directly on the central nervous system. Research shows that it has a high affinity for NMDA receptors, can activate receptor channels, regulate glutamate-mediated neural signal transduction, reduce excitotoxicity, and protect neurons from damage caused by overexcitation. In addition, monomethyl saffin ester can inhibit neuronal apoptosis and slow neurodegenerative changes, showing potential therapeutic value for Parkinson's disease, Alzheimer's disease, and ischemic brain injury.

2. Anti-inflammatory effects

Monomethyl saffrate can significantly downregulate the expression of pro-inflammatory cytokines (such as TNF-α, IL-1β, IL-6) and cyclooxygenase-2 (COX-2), inhibiting activation of inflammatory signaling pathways and reducing inflammatory responses. Its anti-inflammatory mechanism involves inhibiting activation of the MAPK pathway, reducing the release of inflammatory mediators, thereby exerting tissue protective effects.

3. Antitumor effects

In various tumor models, monomethyl saffrate demonstrates activity in inhibiting tumor cell proliferation, inducing apoptosis, and suppressing tumor metastasis. Especially in cervical cancer cells, it demonstrates good anti-cancer potential by regulating the expression of cyclin and apoptosis-related proteins, inducing cell cycle arrest and apoptosis.

4. Anti-aging effects

Monomethyl saffrate delays the aging process of the brain and body tissues by providing antioxidant, anti-inflammatory, and regulating cellular signaling pathways. It protects mitochondrial function, reduces oxidative stress, maintains cellular homeostasis, and extends cell lifespan.

Mechanism of action and molecular targets

The multi-target mechanism of monomethyl safate provides a molecular basis for its complex pharmacological effects.

1. NMDA receptor regulation

Monomethyl saffrate exhibits strong affinity for NMDA receptors, promoting receptor channel opening, regulating glutamate-mediated excitatory nerve transmission, reducing excitatory toxicity, and protecting neuronal function.

2. Anti-inflammatory signaling pathways

By inhibiting activation of the MAPK pathway (including ERK, JNK, p38), monomethyl saffrate reduces the expression of pro-inflammatory cytokines and COX-2, alleviates inflammatory responses, and protects tissues from inflammatory damage.

3. Anti-apoptosis mechanism

Monomethyl safflate can regulate the expression of Bcl-2 family proteins, inhibit cytochrome c release, block mitochondrial pathway apoptosis signaling, and reduce apoptosis. Additionally, it inhibits the activation of caspase enzymes, enhancing cell survival.

4. Antidepressant-related targets

Monomethyl safflate acts on various neurotransmitter system-related targets, including monoamine oxidase A/B (MAOA, MAOB), glycogen synthase kinase 3β (GSK3B), serotonin transporter (SLC6A4), serotonin 1A receptor (HTR1A), GABA_A receptor subunit (GABRA1), cAMP reactive factor-binding protein 1 (CREB1), and brain-derived neurotrophic factor (BDNF), regulating neurotransmitter balance and neuroplasticity , exerting antidepressant effects.

5. Other targets

Monomethyl saffrate may also affect the activity of enzymes such as catechol-O-methyltransferase (COMT), participating in dopamine metabolism regulation and further impacting neurological function.

Druggability evaluation and pharmacokinetics

The druggability parameters of monomethyl saffate indicate that it has certain potential for drug development:

• The molecular weight (342.4350) is moderate, which is beneficial for drug absorption and distribution.
• It has relatively high lipid solubility (LogP 4.0991), which facilitates cell membrane penetration and blood-brain barrier penetration, but excessive levels may affect water solubility and bioavailability.
• The polar surface area (TPSA 63.6) is moderate, meeting the characteristics of an oral active drug.
• Low water solubility suggests the need to optimize formulations to improve bioavailability.
• Although the blood-brain barrier has relatively low penetration, experiments have shown it can effectively enter the central nervous system, possibly related to its lipid solubility and transport mechanisms.
• In terms of safety, hERG channel inhibition was negative, Ames tests had low mutagenicity, indicating good safety.

Pharmacokinetic studies show that monomethyl saffin is well absorbed orally, has a moderate plasma half-life, and can maintain effective plasma concentrations. Its metabolic pathway mainly involves liver enzyme systems, and the activity of these metabolites still requires further research. The main excretion routes are bile and urine.

Prospects and outlooks for clinical applications

Due to its multi-target and multi-mechanism pharmacological properties, monomethyl saffate has broad clinical application potential in neurological diseases, tumors, and inflammatory diseases.

1. Neurological diseases

As an NMDA receptor modulator and anti-inflammatory and anti-apoptotic agent, monomethyl saffironate shows promising prospects in the treatment of Alzheimer's disease, Parkinson's disease, ischemic brain injury, and depression. It can improve neurological function, slow pathological progression, and enhance patients' quality of life.

2. Cancer treatment

Monomethyl saffate demonstrates antiproliferative and pro-apoptotic effects in cervical cancer and other tumor models, and is expected to serve as an adjunct anticancer drug in combination with existing treatment regimens to enhance efficacy and reduce side effects.

3. Inflammatory diseases

By regulating inflammatory signaling pathways, monomethyl saffrate can be used to treat chronic inflammatory diseases such as rheumatoid arthritis and inflammatory bowel disease, alleviating inflammatory responses and protecting tissue function.

4. Anti-aging and neuroprotection

Its antioxidant and anti-aging effects offer new approaches for delaying the aging of the nervous system and the whole body, with potential value for health promotion and disease prevention.

In the future, the clinical translation of monomethyl cisaff still needs to overcome issues such as poor water solubility and limited bioavailability. By integrating new drug delivery systems such as nanocarriers and liposomes, optimizing delivery routes and dosage form design will further promote its clinical application.

Conclusion

As an important active ingredient in saffron, monomethyl safate demonstrates broad application potential in neuroprotection, anti-inflammation, anti-tumor, and anti-aging fields due to its unique chemical structure and multi-target pharmacological activity. Its mechanism of action includes NMDA receptor regulation, inflammatory signal inhibition, anti-apoptotic and neurotransmitter system regulation, forming a complex and effective pharmacological network.

Although significant progress has been made in research on monomethyl saffate so far, its druggability and clinical application still face certain challenges. In the future, it is necessary to strengthen research on its pharmacokinetic properties, optimize formulation technology, and conduct systematic clinical trials to verify its safety and efficacy.

In summary, as a promising natural drug candidate molecule, monomethyl saffin is worth further exploration and development, and is expected to offer new therapeutic strategies and drug options for neurological diseases, inflammation, and tumor treatment.