(E)-KME-4 (Synonyms: PGS-IN-1)

Cat. No.: HY-101587 Purity: 99.51%: FAQs
Data Sheet SDS COA Handling Instructions

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(E)-KME-4 is a potent inhibitor of prostaglandin synthetase (PGS) with an IC₅₀ of 0.28 μM; also inhibits 5-lipoxygenase with an IC₅₀ of 1.05 μM.

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

(E)-KME-4 Chemical Structure

CAS No. : 102271-49-8

Size	Price	Stock	Quantity
1 mg	USD 33	In-stock	Estimated Time of Arrival: December 31
5 mg	USD 125	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 220	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 470	In-stock	Estimated Time of Arrival: December 31
50 mg		Get quote
100 mg		Get quote

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Biological Activity
Protocol
Purity & Documentation
References
Customer Review

Description

(E)-KME-4 is a potent inhibitor of prostaglandin synthetase (PGS) with an IC₅₀ of 0.28 μM; also inhibits 5-lipoxygenase with an IC₅₀ of 1.05 μM.

IC₅₀ & Target

5-Lipoxygenase

1.05 μM (IC₅₀)

In Vitro

The synthesized α-benzulidene-γ-butyrolactones are pure isomers (either cis or trans). (E)-KME-4 is the trans isomer. PGS-IN-1 exhibits potent antiinflammatrory and PGS inhibitory activity (IC₅₀=0.28 μM). (E)-KME-4 also shows potent inhibitory activity against 5-lipoxygenase (IC₅₀=1.05 μM)^[1].

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

Molecular Weight

302.41

Formula

C₁₉H₂₆O₃

CAS No.

102271-49-8

Appearance

Solid

Color

White to off-white

SMILES

O=C1OCC/C1=C\C2=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C2

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

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

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (330.68 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	3.3068 mL	16.5338 mL	33.0677 mL
5 mM	0.6614 mL	3.3068 mL	6.6135 mL
10 mM	0.3307 mL	1.6534 mL	3.3068 mL

View the Complete Stock Solution Preparation Table

* 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.

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Dilution Calculator

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

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

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

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 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (8.27 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.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

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

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

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).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 99.51%

Select Batch:

Data Sheet (277 KB) SDS (251 KB)

COA (253 KB) HNMR (185 KB) LCMS (124 KB)

Handling Instructions (2659 KB)

References

[1]. Katsumi I, et al. Studies on styrene derivatives. I. Synthesis and antiinflammatory activities of alpha-benzylidene-gamma-butyrolactone derivatives. Chem Pharm Bull (Tokyo). 1986 Jan;34(1):121-9. [Content Brief]

Kinase Assay ^[1]	PGS-IN-1 is dissolved in ethanol and the final concentration of ethanol is kept at 2% in each assay. The reaction mixture includes reaction buffer, enzyme (20 μg protein), and PGS-IN-1 in a total volume of 0.2 mL. The mixture is incubated for 15 min at 37°C with shaking and terminated by the addition of 2.5 mL ethyl acetate and 25 μL 1 N formic acid^[1]. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Animal Administration ^[1]	Rats: PGS-IN-1 is administered orally to groups of 4-6 male Wistar rats weighting 160-220 g. One hour later, 1 % carrageenin in 0.9 % NaCl is injected subcutaneously into a hind paw. Paw volumes are measured 5 h after the injection^[1]. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
References	[1]. Katsumi I, et al. Studies on styrene derivatives. I. Synthesis and antiinflammatory activities of alpha-benzylidene-gamma-butyrolactone derivatives. Chem Pharm Bull (Tokyo). 1986 Jan;34(1):121-9. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	3.3068 mL	16.5338 mL	33.0677 mL	82.6692 mL
	5 mM	0.6614 mL	3.3068 mL	6.6135 mL	16.5338 mL
	10 mM	0.3307 mL	1.6534 mL	3.3068 mL	8.2669 mL
	15 mM	0.2205 mL	1.1023 mL	2.2045 mL	5.5113 mL
	20 mM	0.1653 mL	0.8267 mL	1.6534 mL	4.1335 mL
	25 mM	0.1323 mL	0.6614 mL	1.3227 mL	3.3068 mL
	30 mM	0.1102 mL	0.5511 mL	1.1023 mL	2.7556 mL
	40 mM	0.0827 mL	0.4133 mL	0.8267 mL	2.0667 mL
	50 mM	0.0661 mL	0.3307 mL	0.6614 mL	1.6534 mL
	60 mM	0.0551 mL	0.2756 mL	0.5511 mL	1.3778 mL
	80 mM	0.0413 mL	0.2067 mL	0.4133 mL	1.0334 mL
	100 mM	0.0331 mL	0.1653 mL	0.3307 mL	0.8267 mL

(E)-KME-4 Related Classifications

Inflammation/Immunology

Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

(E)-KME-4102271-49-8PGS-IN-1PGE synthaseLipoxygenaseProstaglandin E synthaseLOXInhibitorinhibitorinhibit

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