BT18 is a molecular mimic that functions similarly to glial cell-derived neurotrophic factor (GDNF). BT18 affects the functions of the GDNF family receptor GFRα1 and the RET receptor tyrosine kinase RetA.

Physicochemical Properties

Molecular Formula	C30H31F4N3O6S
Molecular Weight	637.642260789871
Exact Mass	637.186
CAS #	924811-53-0
PubChem CID	46088742
Appearance	White to light yellow solid powder
LogP	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	7
Heavy Atom Count	44
Complexity	1090
Defined Atom Stereocenter Count	0
SMILES	O=C(N1CCN(C2C(OC)=CC=C(S(N3CCC4C(=CC(=C(C=4)OC)OC)C3)(=O)=O)C=2)CC1)C1C(C(F)(F)F)=CC(F)=CC=1
InChi Key	QVIIZVVDZZHGCB-UHFFFAOYSA-N
InChi Code	InChI=1S/C30H31F4N3O6S/c1-41-26-7-5-22(44(39,40)37-9-8-19-14-27(42-2)28(43-3)15-20(19)18-37)17-25(26)35-10-12-36(13-11-35)29(38)23-6-4-21(31)16-24(23)30(32,33)34/h4-7,14-17H,8-13,18H2,1-3H3
Chemical Name	[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxyphenyl]piperazin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
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	In the MG87RET cell line, BT18 (50 μM; 1-90 min) time-dependently activates AKT and ERK1/2 [1]. In the MG87RET cell line, BT18 (1-50 μM; 90 min) activates AKT in a dose-dependent manner [1]. GFP-transfected cells and GFRD1-transfected cells appear to phosphorylate RET at a dose of 50 μM when exposed to BT18 (5-50 μM; 15 mimutes) [1].
Cell Assay	Western Blot Analysis[1] Cell Types: MG87RET Cell line Tested Concentrations: 50 μM Incubation Duration: 1, 5, 15, 45, 90 minutes Experimental Results: AKT and ERK1/2 activation was time-dependent.
References	[1]. Leo Jakman, Characterization of small-molecule GDNF mimics. [2]. Molecular Dynamics Simulations of the Interactions between Glial Cell Line-DerivedNeurotrophic Factor Family Receptor GFRα1 and Small-Molecule Ligands. ACS Omega. 2018 Sep 30;3(9):11407-11414.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~156.83 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (3.92 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 25.0 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: ≥ 2.5 mg/mL (3.92 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 25.0 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	1.5683 mL	7.8414 mL	15.6828 mL
	5 mM	0.3137 mL	1.5683 mL	3.1366 mL
	10 mM	0.1568 mL	0.7841 mL	1.5683 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.