CID 1375606 is the first selective surrogate agonist of orphan G protein-coupled receptor (GPCR) GPR27 identified from screening a diversity-oriented synthesis library. The specificity of the activity of CID 1375606 was confirmed with a NanoLuc Binary Technology β-arrestin 2 assay, imaging of green fluorescent protein-tagged β-arrestin 2, and PathHunter β-arrestin 2 assay. Interestingly, no G protein activation was detected upon activation of GPR27 by CID 1375606. GPCRs are the most important drug targets for human diseases. An important number of them remain devoid of confirmed ligands. GPR27 is one of these orphan receptors, characterized by a high level of conservation among vertebrates and a predominant expression in the central nervous system. In addition, it has recently been linked to insulin secretion. However, the absence of endogenous or surrogate ligands for GPR27 complicates the examination of its biologic function.

Physicochemical Properties

Molecular Formula	C20H14CL2N2O2
Molecular Weight	385.24
Exact Mass	384.043
CAS #	313493-80-0
Related CAS #	313493-80-0
PubChem CID	1375606
Appearance	White to off-white solid powder
LogP	5.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	26
Complexity	488
Defined Atom Stereocenter Count	0
SMILES	C1C=CC(NC(C2C=CC(NC(=O)C3C=CC(=CC=3Cl)Cl)=CC=2)=O)=CC=1
InChi Key	PFHDXBXPRBQVAV-UHFFFAOYSA-N
InChi Code	InChI=1S/C20H14Cl2N2O2/c21-14-8-11-17(18(22)12-14)20(26)24-16-9-6-13(7-10-16)19(25)23-15-4-2-1-3-5-15/h1-12H,(H,23,25)(H,24,26)
Chemical Name	2,4-Dichloro-N-(phenylcarbamoyl)phenylbenzamide
Synonyms	CID 1375606; CID1375606; CID-1375606
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	CID 1375606 is a surrogate agonist specific to GPR27. One characteristic of GPR27 is that it is expressed mostly in the central nervous system and is highly conserved among vertebrates. Furthermore, it has been discovered lately to have a connection to insulin secretion [1].
References	[1]. Activation of the Orphan G Protein-Coupled Receptor GPR27 by Surrogate Ligands Promotes β-Arrestin 2 Recruitment. Mol Pharmacol. 2017 Jun;91(6):595-608.

Solubility Data

Solubility (In Vitro)

DMSO:≥ 50mg/mL Water:N/A Ethanol:N/A

Solubility (In Vivo)

Solubility in Formulation 1: 2.67 mg/mL (6.93 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 26.7 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.67 mg/mL (6.93 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 26.7 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.5958 mL	12.9789 mL	25.9578 mL
	5 mM	0.5192 mL	2.5958 mL	5.1916 mL
	10 mM	0.2596 mL	1.2979 mL	2.5958 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.