| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
Chlorogenin does not have a single well-defined molecular target. As a steroidal sapogenin, it may interact with various cellular targets including steroid receptors, enzymes involved in steroid metabolism, and inflammatory signaling pathways. The compound has been reported to exhibit weak cytotoxicity against leukemia cell lines and certain antiviral activity. Chlorogenin inhibits influenza A virus (H5N1) hemagglutinin-mediated viral entry into human A549 cells. As a sapogenin, it may also modulate inflammatory responses through interactions with nuclear receptors or signaling proteins involved in inflammation.
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| ln Vitro |
Chlorogenin is weakly cytotoxic to leukemia cell lines including CCRF and HL-20. It exhibits certain antiviral activity, including inhibition of influenza A virus (H5N1) hemagglutinin-mediated viral entry into human A549 cells. The compound's cytotoxicity and antiviral activities suggest potential applications in cancer and infectious disease research. However, specific IC₅₀ values for its biological activities are not extensively documented in the available literature. Chlorogenin serves as a valuable scaffold for investigating structure-activity relationships in anti-inflammatory and cytotoxic contexts.
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| ln Vivo |
In vivo activity data for chlorogenin are limited in the available literature. As a naturally occurring sapogenin, it may have biological effects related to its steroidal structure. Sapogenins are known to exhibit various biological activities including anti-inflammatory, anti-cancer, and anti-microbial effects. However, specific in vivo studies detailing the therapeutic effects, dosing, and pharmacokinetics of chlorogenin are not extensively documented. The compound is primarily used as a research tool and precursor for steroid synthesis rather than as a pharmacologically active agent.
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| Enzyme Assay |
Non-cellular assays for chlorogenin typically involve assessing its antiviral activity. For influenza A virus inhibition, a hemagglutination inhibition assay or a viral entry assay can be employed. In a viral entry assay, human A549 cells are incubated with influenza A virus (H5N1) in the presence of varying concentrations of chlorogenin. The extent of viral entry is measured by detecting viral proteins or by using a reporter system. IC₅₀ values are calculated from dose-response curves. Cytotoxicity can be assessed using leukemia cell lines in cell viability assays.
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| Cell Assay |
In vitro cellular assays for chlorogenin typically use leukemia cell lines such as CCRF and HL-20 to assess cytotoxicity. Cells are treated with various concentrations of chlorogenin for 24-72 hours. Cell viability is assessed using MTT, CCK-8, or trypan blue exclusion assays. For antiviral activity, human A549 cells are infected with influenza A virus (H5N1) and treated with chlorogenin. Viral replication is measured by plaque assay, quantitative PCR, or by detecting viral proteins. The compound's ability to inhibit viral entry is assessed by measuring the uptake of labeled virus particles.
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| Animal Protocol |
In vivo animal studies for chlorogenin are not extensively documented in the available literature. As a naturally occurring sapogenin, it is not typically studied in animal models for therapeutic efficacy. The compound is primarily used as a research tool and precursor for steroid synthesis. Any in vivo studies would need to be designed based on the specific biological activities being investigated, such as anti-inflammatory, anti-cancer, or antiviral effects.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of chlorogenin are not characterized in the available literature. As a steroidal sapogenin with a molecular weight of 432.65, it is expected to have moderate to high lipophilicity and may exhibit reasonable oral absorption. The compound contains multiple hydroxyl groups that may undergo phase II conjugation (glucuronidation and sulfation). Metabolic pathways likely involve hepatic cytochrome P450-mediated oxidation and conjugation reactions. Specific PK parameters such as half-life, bioavailability, and volume of distribution are not documented.
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| Toxicity/Toxicokinetics |
Toxicological data for chlorogenin are limited in the available literature. As a naturally occurring sapogenin, it is generally considered to have low to moderate toxicity. However, comprehensive toxicology studies are not available. The compound may cause skin and eye irritation upon contact. Standard laboratory safety precautions should be observed when handling this compound. It is intended for research use only and not for human consumption.
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| References | |
| Additional Infomation |
Chlorogenin is a triterpenoid compound. It has been reported to be found in yucca, crape myrtle, and other organisms with relevant data.
Chlorogenin is a research-grade natural product intended for laboratory use only and is not approved for clinical use. Its CAS number is 562-34-5. The primary applications of chlorogenin include use as a precursor for synthetic steroid derivatization, as a reference standard for phytochemical analysis, and as a scaffold for investigating structure-activity relationships in anti-inflammatory and cytotoxic contexts. The compound is isolated from Agave americana and other plant sources. Chlorogenin is also a valuable tool for studying the biological activities of sapogenins and for developing novel steroid-based therapeutics. |
| Molecular Formula |
C27H44O4
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|---|---|
| Molecular Weight |
432.63586
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| Exact Mass |
432.323
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| CAS # |
562-34-5
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| PubChem CID |
12303065
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
550.5±50.0 °C at 760 mmHg
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| Flash Point |
286.7±30.1 °C
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| Vapour Pressure |
0.0±3.4 mmHg at 25°C
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| Index of Refraction |
1.565
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| LogP |
4.5
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
31
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| Complexity |
726
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| Defined Atom Stereocenter Count |
13
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| SMILES |
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CCC(C6)O)C)O)C)C)OC1
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| InChi Key |
PZNPHSFXILSZTM-JUGSJECZSA-N
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| InChi Code |
InChI=1S/C27H44O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,22+,23+,24+,25-,26+,27-/m1/s1
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| Chemical Name |
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16,19-diol
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3114 mL | 11.5570 mL | 23.1139 mL | |
| 5 mM | 0.4623 mL | 2.3114 mL | 4.6228 mL | |
| 10 mM | 0.2311 mL | 1.1557 mL | 2.3114 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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