ONO-9780307 is a specific LPA1 (lysophosphatidic acid receptor 1) antagonist (inhibitor) with IC50 of 2.7 nM.

Physicochemical Properties

Molecular Formula	C31H37NO6
Molecular Weight	519.63
Exact Mass	521.241
CAS #	856691-44-6
PubChem CID	11785732
Appearance	White to off-white solid powder
LogP	3.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	12
Heavy Atom Count	38
Complexity	765
Defined Atom Stereocenter Count	2
SMILES	COC1=C(C)C(OC)=CC([C@H]([C@@](CN2C=C(C(OC)=O)C(=C2)CC(O)=O)([H])CC2CC3C(=CC=CC=3)C2)C)=C1
InChi Key	PMPFDANPLYTSTM-PWUYWRBVSA-N
InChi Code	InChI=1S/C30H35NO7/c1-18-26(36-2)12-22(13-27(18)37-3)29(34)24(11-19-9-20-7-5-6-8-21(20)10-19)16-31-15-23(14-28(32)33)25(17-31)30(35)38-4/h5-8,12-13,15,17,19,24,29,34H,9-11,14,16H2,1-4H3,(H,32,33)/t24-,29+/m0/s1
Chemical Name	2-[1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-methoxycarbonylpyrrol-3-yl]acetic acid
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 Note: This product requires protection from light (avoid light exposure) during transportation and storage.
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

Targets	LPA1 Receptor 2.7 nM (IC50)
ln Vitro	The LPA1-B103 and Vector-B103 cells exhibit 0.1~10000 μM of VT107, which inhibits Ca2+ mobilization[1]. ONO-9780307 interacts to an orthosteric location in LPA1 and is employed to solve the crystal structure of that protein[1].
References	[1]. Lysophospholipid G protein-coupled receptor binding parameters as determined by backscattering interferometry. J Lipid Res. 2019;60(1):212-217.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (191.72 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 5 mg/mL (9.59 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 50.0 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	1.9244 mL	9.6222 mL	19.2445 mL
	5 mM	0.3849 mL	1.9244 mL	3.8489 mL
	10 mM	0.1924 mL	0.9622 mL	1.9244 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.