Art. -Nr.: HY-12789

Etrasimod

(Synonyms: APD334)

1 Cited Publications

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Etrasimod (APD334) is a potent, selective and orally available antagonist of the sphingosine-1-phosphate-1 (S1P₁) receptor with an IC₅₀ value of 1.88 nM in CHO cells.

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Reinheit: 99.91%
CAS. Nr.: 1206123-37-6
Formel: C₂₆H₂₆F₃NO₃
Molecular Weight:457.48

Speicherung:

Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 2 years , -20°C, 1 year

Etrasimod Chemical Structure

CAS. Nr.: 1206123-37-6

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Biologische Aktivität
- Beschreibung
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
- Clinical Trial
Chemical Information
Publications (1)
Lösungsmittel & Löslichkeit
- In Vitro
Protokoll
Reinheit & Dokumentation
Verweise
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

Etrasimod (APD334) is a potent, selective and orally available antagonist of the sphingosine-1-phosphate-1 (S1P₁) receptor with an IC₅₀ value of 1.88 nM in CHO cells.

IC₅₀ & Target

IC50: 1.88 nM (S1P1)^[1]

Alle LPL Receptor Isoform-spezifische Produkte anzeigen :

Cellular Effect

Cell Line	Type	Value	Description	References
CHO	IC₅₀	1.88 nM Compound: (R)-4, APD334	Induction of internalization of HA-tagged human S1P1 receptor expressed in CHO cells Induction of internalization of HA-tagged human S1P1 receptor expressed in CHO cells	[PMID: 25516790]
THP-1	CC₅₀	57.7 μM Compound: 1; Etra	Cytotoxicity against human THP-1 cells assessed as reduction in cell viability incubated for 24 hrs by resazurin staining based analysis Cytotoxicity against human THP-1 cells assessed as reduction in cell viability incubated for 24 hrs by resazurin staining based analysis	[PMID: 37948883]

In Vitro

APD334 is a structurally novel, selective, functional antagonist of S1P₁. In CHO cells expressing HA tagged S1P₁, APD334 is found to have an IC₅₀ value of 1.88 nM. Moderate agonism at human S1P₄ and S1P₅ is observed but is reduced relative to S1P₁, both in terms of potency and efficacy. APD334 is devoid of any agonism or antagonism at human S1P₂ and S1P₃. APD334 achieves good central exposure following oral dosing and possesses a favorable pharmacokinetic profile in multiple preclinical species. S1P₁ activity is maintained in mice (EC₅₀=0.44 nM), rats (EC₅₀=0.32 nM), dogs (EC₅₀=0.34 nM) and monkeys (EC₅₀=0.32 nM)^[1].

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

In Vivo

APD334 has a relatively low systemic clearance (<4% of hepatic blood flow) and high C_max across all species. In both dog and monkey a significant decrease in volume of distribution (Vss) is observed relative to rodent. Oral bioavailability is in the range of 40–100%, and the terminal phase half-life varied from 6 h in monkey, to as long as 29 h in dog. Rat and monkey t_1/2 values for siponimod (another S1P1 modulator currently in human trials) have been disclosed and are 6 and 19 h, respectively^[1].

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

Clinical Trial

NCT Number	Sponsor	Condition	Start Date	Phase A549
NCT01329991	Plexxikon\|		2011-05	PHASE1

Chemical Information

CAS. Nr. 1206123-37-6
Appearance Solid
Molecular Weight 457.48
Formel C₂₆H₂₆F₃NO₃
Color White to khaki
SMILES

FC(F)(F)C1=CC(COC2=CC=C(NC3=C4CC[C@@H]3CC(O)=O)C4=C2)=CC=C1C5CCCC5
Synonyms

APD334
Versand

Room temperature in continental US; may vary elsewhere.

Speicherung

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	2 years
	-20°C	1 year

Publications (1)

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Heliyon

Development and validation of stability-indicating method of etrasimod by HPLC/DAD/MS/MS technique with greenness profiling. [Abstract]

2024 Jul 4;10(13):e34066. PMID: 39071639

Lösungsmittel & Löslichkeit

In Vitro:

DMSO : 116.67 mg/mL (255.03 mM; Need ultrasonic; 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

2.1859 mL

10.9294 mL

21.8589 mL

5 mM

0.4372 mL

2.1859 mL

4.3718 mL

10 mM

0.2186 mL

1.0929 mL

2.1859 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, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

Molaritätsrechner

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

Mass Mass

Konzentration Konzentration

Volumen Volumen

Molecular Weight Molecular Weight

Verdünnungsrechner

Konzentration _{(Stammlösung)} × Volumen _{(Stammlösung)} = Konzentration _{(Ziellösung)} × Volumen _{(Ziellösung)}

Konzentration _{(Stammlösung)} Konzentration _{(Stammlösung)}

Volumen _{(Stammlösung)} Volumen _{(Stammlösung)}

Konzentration _{(Ziellösung)} Konzentration _{(Ziellösung)}

Volumen _{(Ziellösung)} Volumen _{(Ziellösung)}

Protokoll

Animal Administration^[1]

Rats: APD334 induced effects on blood lymphopenia are determined in male Sprague-Dawley rats. Briefly, male rats are given a 0 (vehicle only), 0.03 (mice only), 0.1, 0.3 or 1 mg/kg oral dose of APD334 formulated in 0.5% methylcellulose (MC) in water. Rat blood samples are collected at 0, 1, 3, 5, 8, 16, 24, 32, 48 and 72 hours post-dose^[1].

Mice: APD334 induced effects on blood lymphopenia are determined in male BALB/c mice. Briefly, male mice are given a 0 (vehicle only), 0.03 (mice only), 0.1, 0.3 or 1 mg/kg oral dose of APD334 formulated in 0.5% methylcellulose (MC) in water. Mouse blood samples are taken at 0, 1, 3, 5, 8, 16, 24 and 32 hours post-dose^[1].

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

Reinheit & Dokumentation

Select Batch:

Reinheit: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (273 KB)
SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Korean - KR (393 KB)
- Portuguese - PT (393 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)

Verweise

[1]. Buzard DJ, et al. Discovery of APD334: Design of a Clinical Stage Functional Antagonist of the Sphingosine-1-phosphate-1 Receptor. ACS Med Chem Lett. 2014 Nov 4;5(12):1313-7. [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

Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	2.1859 mL	10.9294 mL	21.8589 mL	54.6472 mL
	5 mM	0.4372 mL	2.1859 mL	4.3718 mL	10.9294 mL
	10 mM	0.2186 mL	1.0929 mL	2.1859 mL	5.4647 mL
	15 mM	0.1457 mL	0.7286 mL	1.4573 mL	3.6431 mL
	20 mM	0.1093 mL	0.5465 mL	1.0929 mL	2.7324 mL
	25 mM	0.0874 mL	0.4372 mL	0.8744 mL	2.1859 mL
	30 mM	0.0729 mL	0.3643 mL	0.7286 mL	1.8216 mL
	40 mM	0.0546 mL	0.2732 mL	0.5465 mL	1.3662 mL
	50 mM	0.0437 mL	0.2186 mL	0.4372 mL	1.0929 mL
	60 mM	0.0364 mL	0.1822 mL	0.3643 mL	0.9108 mL
	80 mM	0.0273 mL	0.1366 mL	0.2732 mL	0.6831 mL
	100 mM	0.0219 mL	0.1093 mL	0.2186 mL	0.5465 mL

Keywords

Etrasimod

1 Cited Publications

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Etrasimod

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Publications Citing Use of MedChemExpress (MCE) Etrasimod

Alle LPL Receptor Isoform-spezifische Produkte anzeigen

Biologische Aktivität

Chemical Information

Publications (1)

Lösungsmittel & Löslichkeit

Protokoll

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

Etrasimod

GPCR/G Protein Compound Library

Immunology/Inflammation Compound Library

FDA-Approved Drug Library

Drug Repurposing Compound Library

Orally Active Compound Library

FDA Approved & Pharmacopeial Drug Library

Rare Diseases Drug Library

Human Metabolite Library

Anti-Pulmonary Fibrosis Compound Library

Non-steroidal Anti-Inflammatory Compound Library

Membrane Protein-targeted Compound Library

Membrane Receptor-targeted Compound Library

Highly Selective Inhibitors Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Drug Repurposing Compound Library Plus

FDA-Approved Drug Library Plus

FDA-Approved Drug Library Mini

Bioactive Compound Library

High-Throughput Bioactive Compound Library

Mass Spectrometry Human Metabolite Library

Lactylation Compound Library

Publications Citing Use of MedChemExpress (MCE) Etrasimod

Alle LPL Receptor Isoform-spezifische Produkte anzeigen

Biologische Aktivität

Chemical Information

Publications (1)

Lösungsmittel & Löslichkeit

Protokoll

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

Etrasimod Related Classifications

HY-12789 Related Classifications