Anemoside A3-methyl 6-aminohexanoate

Name: Anemoside A3-methyl 6-aminohexanoate
Brand: MedChemExpress
SKU: HY-161627
Rating: 4.5 (0 reviews)

Cat. No.: HY-161627 Purity: 98.62%: Data Sheet
COA

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Anemoside A3-methyl 6-aminohexanoate is an orally effective pyruvate carboxylase (PC) inhibitor with a K_d value of 10.1 μM against human PC. Anemoside A3-methyl 6-aminohexanoate exerts its function through the PC/NF-κB/NLRP3 inflammasome axis. Anemoside A3-methyl 6-aminohexanoate significantly alleviates symptoms of DSS (HY-116282C)-induced colitis in mice. Anemoside A3-methyl 6-aminohexanoate can be used in colitis-related research.

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

Anemoside A3-methyl 6-aminohexanoate Chemical Structure

CAS No. : 2919975-48-5

Size	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	In-stock	Estimated Time of Arrival: December 31
10 mg	In-stock	Estimated Time of Arrival: December 31
25 mg	In-stock	Estimated Time of Arrival: December 31
50 mg	In-stock	Estimated Time of Arrival: December 31
100 mg	In-stock	Estimated Time of Arrival: December 31
200 mg	Get quote
500 mg	Get quote

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•Related Screening Libraries:

•Related Small Molecules:

•Related Proteins:

View All NOD-like Receptor (NLR) Isoform Specific Products:

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NLRP3 NLRP1 NOD1 NOD2

View All NF-κB Isoform Specific Products:

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NF-κB NF-κB1/p50 RelA/p65 RelB c-Rel

View All Interleukin Related Isoform Specific Products:

View All Isoforms

IL-1 IL-2 IL-3 IL-4 IL-5 IL-6 IL-8 IL-10 IL-12 IL-13 IL-15 IL-17 IL-23 IL-7 IL-33 IL-22 IL-18

Biological Activity
Purity & Documentation
References
Customer Review

Description

IC₅₀ & Target^[1]

NF-κB

IL-6

IL-1β

NLRP3

Cellular Effect

Cell Line	Type	Value	Description	References
THP-1	IC₅₀	>= 80 μM Compound: A3-6	Cytotoxicity against human THP-1 cells assessed as inhibition of cell viability incubated for 24 hrs by CCK8 assay Cytotoxicity against human THP-1 cells assessed as inhibition of cell viability incubated for 24 hrs by CCK8 assay	[PMID: 38687956]

In Vitro

Anemoside A3-methyl 6-aminohexanoate (Compound A3-6) (0-10 μM; 0-25 h) potently inhibits PC enzyme activity in THP-1-derived macrophages with an IC₅₀ of 0.058 μM, reduces LPS (HY-D1056)-induced proinflammatory cytokine secretion, and regulates pyruvate metabolism in a concentration-dependent manner^[1].
Anemoside A3-methyl 6-aminohexanoate (1-10 μM; 0-13.5 h) dose-dependently inhibits NF-κB pathway activation and NLRP3 inflammasome activation in THP-1-derived macrophages^[1].

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

Western Blot Analysis^[1]

Cell Line:	THP-1-derived macrophages
Concentration:	1, 10 μM (NF-κB pathway measurement); 1, 10 μM (NLRP3 inflammasome measurement)
Incubation Time:	1 h prior to 6 h LPS stimulation (NF-κB pathway measurement); 1 h prior to 12 h LPS + 0.5 h ATP stimulation (NLRP3 inflammasome measurement)
Result:	Inhibited LPS-induced increases in p-p65 and p-IκBα protein levels in a concentration-dependent manner. Significantly reduced LPS + ATP-induced NLRP3, Pro-IL-1β, P20, and IL-1β protein levels.

ELISA Assay^[1]

Cell Line:	Differentiated THP-1 cells treated LPS
Concentration:	0.1, 1, 10 μM
Incubation Time:	1 h prior to 24 h LPS stimulation
Result:	Significantly decreased TNF-α and IL-6 secretion in a concentration-dependent manner.

Parmacokinetics

Species	Dose	Route	T_max	T_1/2	C_max	AUC_0-t	MRT_0-t	CL	V_d
Mice^[1]	15 (Plasma) mg/kg	p.o.	0.46 h	4.74 h	0.58 ng/mL	2.46 h·ng/g	5.13 h	15464.12 L/h/kg	357958.8 L/kg
Mice^[1]	15 (Colon Tissue) mg/kg	p.o.	1.92 h	4.65 h	7.12 ng/mL	30.18 h·ng/g	4.38 h	2525.07 L/h/kg	17324.05 L/kg

In Vivo

A3-6 (15-60 mg/kg; i.g.; daily; 8 days) alleviates dextran sulfate sodium (DSS, HY-116282C)-induced ulcerative colitis in male ICR mice^[1].

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

Animal Model:	ICR mice (male, 20-25 g, DSS-induced ulcerative colitis)^[1]
Dosage:	15 mg/kg; 30 mg/kg; 60 mg/kg
Administration:	i.g.; daily; 8 days
Result:	Reduced DSS-induced body weight loss. Dose-dependently decreased elevated disease activity index (DAI) scores. Dose-dependently prevented colon shortening. Reduced splenomegaly (lowered spleen index) in a dose-dependent manner. Reduced colonic levels of the pro-inflammatory cytokine IL-6 in a concentration-dependent manner. Decreased colon tissue pyruvate carboxylase (PC) activity at 60 mg/kg. Increased colonic pyruvate levels at 60 mg/kg. Inhibited DSS-induced IκBα degradation and P65 phosphorylation in mouse colon tissues.

Molecular Weight

878.14

Formula

C₄₈H₇₉NO₁₃

CAS No.

2919975-48-5

Appearance

Solid

Color

White to off-white

SMILES

C=C(C)[C@@H]1CC[C@]2(C(NCCCCCC(OC)=O)=O)CC[C@@]3(C)[C@]4(C)CC[C@@]5([H])[C@](C)(CO)[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]5(C)[C@@]4([H])CC[C@]3([H])[C@]21[H]

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

-20°C, protect from light, stored under nitrogen

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

Solvent & Solubility

In Vitro:

DMSO : ≥ 100 mg/mL (113.88 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

*"≥" means soluble, but saturation unknown.

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	1.1388 mL	5.6939 mL	11.3877 mL
5 mM	0.2278 mL	1.1388 mL	2.2775 mL
10 mM	0.1139 mL	0.5694 mL	1.1388 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 (protect from light, stored under nitrogen). 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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Purity & Documentation

Purity: 98.62%

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Data Sheet (280 KB) SDS (252 KB)

COA (256 KB) HNMR (351 KB) RP-HPLC (256 KB) LCMS (237 KB)

Handling Instructions (2659 KB)

References

[1]. Lv L, et al. Discovery of a New Anti-Inflammatory Agent from Anemoside B4 Derivatives and Its Therapeutic Effect on Colitis by Targeting Pyruvate Carboxylase. J Med Chem. 2024;67(9):7385-7405. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	1.1388 mL	5.6939 mL	11.3877 mL	28.4693 mL
	5 mM	0.2278 mL	1.1388 mL	2.2775 mL	5.6939 mL
	10 mM	0.1139 mL	0.5694 mL	1.1388 mL	2.8469 mL
	15 mM	0.0759 mL	0.3796 mL	0.7592 mL	1.8980 mL
	20 mM	0.0569 mL	0.2847 mL	0.5694 mL	1.4235 mL
	25 mM	0.0456 mL	0.2278 mL	0.4555 mL	1.1388 mL
	30 mM	0.0380 mL	0.1898 mL	0.3796 mL	0.9490 mL
	40 mM	0.0285 mL	0.1423 mL	0.2847 mL	0.7117 mL
	50 mM	0.0228 mL	0.1139 mL	0.2278 mL	0.5694 mL
	60 mM	0.0190 mL	0.0949 mL	0.1898 mL	0.4745 mL
	80 mM	0.0142 mL	0.0712 mL	0.1423 mL	0.3559 mL
	100 mM	0.0114 mL	0.0569 mL	0.1139 mL	0.2847 mL