GPR40/FFAR1 modulator 1

SKU: orb1309617

Description

This small molecule is a dual-acting agonist and allosteric modulator of the Gq-coupled GPR40/FFAR1 receptor. It is a valuable research tool for investigating receptor pharmacology and has been utilized in both in vitro and in vivo studies exploring metabolic diseases like type 2 diabetes.

Research Area

Metabolism Research, Pharmacology & Drug Discovery

Images & Validation

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Key Properties

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CAS Number	874755-26-7
MW	389.41
Purity	99.72% (May vary between batches)
Formula	C₂₁H₁₉N₅O₃
SMILES	Cc1ccccc1Nc1nc(N)nc(COc2ccc3c(C)cc(=O)oc3c2)n1
Target	GPCR
Solubility	10% DMSO+90% Saline:2 mg/mL (5.14 mM);DMSO:30 mg/mL (77.04 mM)

Bioactivity

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In Vitro

The long-chain fatty acid receptor FFAR1/GPR40 binds agonists in both an interhelical site between the extracellular segments of transmembrane helix (TM)-III and TM-IV and a lipid-exposed groove between the intracellular segments of these helices. Molecular dynamics simulations of FFAR1 with agonist removed demonstrated a major rearrangement of the polar and charged anchor point residues for the carboxylic acid moiety of the agonist in the interhelical site, which was associated with closure of a neighboring, solvent-exposed pocket between the extracellular poles of TM-I, TM-II, and TM-VII. A synthetic compound designed to bind in this pocket, and thereby prevent its closure, was identified through structure-based virtual screening and shown to function both as an agonist and as an allosteric modulator of receptor activation.

Storage & Handling

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Storage	Powder: -20°C for 3 years \| In solvent: -80°C for 1 year \| Shipping with blue ice/Shipping at ambient temperature.
Expiration Date	12 months from date of receipt.
Disclaimer	For research use only

Alternative Names

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Inhibitor, GPR40/FFAR1 modulator 1, GPR-40/FFAR1 modulator 1, GPR40/FFAR1, FFAR, Free Fatty Acid Receptor, inhibit

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Compound Identifiers

PubChem CID

8852666 ↗

Key Properties

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No computed properties available.

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