Cat. No.: HY-N6968

α-Humulene

(Synonyms: Humulene; α-Caryophyllene)

Customer Review

Based on 1 Customer Validation

α-Humulene is a main constituent of Tanacetum vulgare L. (Asteraceae) essential oil with anti-inflammation (IC₅₀=15±2 μg/mL). α-Humulene inhibits COX-2 and iNOS expression.

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

Purity: 98.55%
CAS No.: 6753-98-6
Formula: C₁₅H₂₄
Molecular Weight:204.35

Storage:

4°C, protect from light

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

α-Humulene Chemical Structure

CAS No.: 6753-98-6

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

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

Biological Activity

Description

α-Humulene is a main constituent of Tanacetum vulgare L. (Asteraceae) essential oil with anti-inflammation (IC₅₀=15±2 μg/mL). α-Humulene inhibits COX-2 and iNOS expression^[1].

IC₅₀ & Target^[1]

COX-2

iNOS

All NO Synthase Isoforms :

All COX Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
BC1 cell line	IC₅₀	>5 μg/mL Compound: 3	Cytotoxicity against human BC1 cells Cytotoxicity against human BC1 cells	[PMID: 17845001]
HT-29	IC₅₀	54 μM Compound: HUM	Cytotoxicity against human HT-29 cells assessed as reduction in cell viability after 24 hrs by MTT assay Cytotoxicity against human HT-29 cells assessed as reduction in cell viability after 24 hrs by MTT assay	[PMID: 30096653]
KB	IC₅₀	>5 μg/mL Compound: 3	Cytotoxicity against human KB cells Cytotoxicity against human KB cells	[PMID: 17845001]
NCI-H187	IC₅₀	>5 μg/mL Compound: 3	Cytotoxicity against human NCI-H187 cells Cytotoxicity against human NCI-H187 cells	[PMID: 17845001]

In Vitro

The cytotoxicity of α-Humulene against human lung carcinoma A549, colon adenocarcinoma DLD-1, skin fibroblasts WS1 cell lines is 28±1, 43±3, and 24±3 μg/mL, respetctively^[1].

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

Chemical Information

CAS No. 6753-98-6
Appearance Liquid (Density: 0.889 g/cm³)
Molecular Weight 204.35
Formula C₁₅H₂₄
Color Colorless to light yellow
SMILES

C/C1=C\CC(C)(C)/C=C/C/C(C)=C/CC1
Synonyms

Humulene; α-Caryophyllene
Structure Classification
- Terpenoids
- Other Terpenoids
Initial Source
- Endogenous metabolite
- Human Gut Microbiota Metabolites
- Microorganisms
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

4°C, protect from light

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

Solvent & Solubility

In Vitro:

DMSO : 33.33 mg/mL (163.10 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

4.8936 mL

24.4678 mL

48.9356 mL

5 mM

0.9787 mL

4.8936 mL

9.7871 mL

10 mM

0.4894 mL

2.4468 mL

4.8936 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

Volume Volume

Molecular Weight Molecular Weight

Dilution Calculator

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

Concentration _(start) Concentration _(start)

Volume _(start) Volume _(start)

Concentration _(final) Concentration _(final)

Volume _(final) Volume _(final)

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 (12.23 mM); Suspended solution; Need ultrasonic

This protocol yields a suspended solution of 2.5 mg/mL. Suspended solution can be used for oral and intraperitoneal injection.

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 (12.23 mM); Suspended solution; Need ultrasonic

This protocol yields a suspended solution of 2.5 mg/mL. Suspended solution can be used for oral and intraperitoneal injection.

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 (12.23 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

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (275 KB)
SDS (394 KB)
- English - EN (394 KB)
- Français - FR (394 KB)
- Deutsch - DE (394 KB)
- Norwegian - NO (394 KB)
- Español - ES (394 KB)
- Swedish - SV (394 KB)
- Italian - IT (394 KB)
- Korean - KR (394 KB)
- Portuguese - PT (394 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]. Coté H, et al. Anti-Inflammatory, Antioxidant, Antibiotic, and Cytotoxic Activities of Tanacetum vulgare L. Essential Oil and Its Constituents. Medicines (Basel). 2017 May 25;4(2). pii: E34. [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

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	4.8936 mL	24.4678 mL	48.9356 mL	122.3391 mL
	5 mM	0.9787 mL	4.8936 mL	9.7871 mL	24.4678 mL
	10 mM	0.4894 mL	2.4468 mL	4.8936 mL	12.2339 mL
	15 mM	0.3262 mL	1.6312 mL	3.2624 mL	8.1559 mL
	20 mM	0.2447 mL	1.2234 mL	2.4468 mL	6.1170 mL
	25 mM	0.1957 mL	0.9787 mL	1.9574 mL	4.8936 mL
	30 mM	0.1631 mL	0.8156 mL	1.6312 mL	4.0780 mL
	40 mM	0.1223 mL	0.6117 mL	1.2234 mL	3.0585 mL
	50 mM	0.0979 mL	0.4894 mL	0.9787 mL	2.4468 mL
	60 mM	0.0816 mL	0.4078 mL	0.8156 mL	2.0390 mL
	80 mM	0.0612 mL	0.3058 mL	0.6117 mL	1.5292 mL
	100 mM	0.0489 mL	0.2447 mL	0.4894 mL	1.2234 mL

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α-Humulene

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All NO Synthase Isoforms

All COX Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

α-Humulene Related Classifications

HY-N6968 Related Classifications