SG-094 is a potent TPC2 inhibitor (antagonist) with anti-proliferation activity. SG-094 may be used in cancer-related research.

Physicochemical Properties

Molecular Formula	C30H29NO3
Molecular Weight	451.556168317795
Exact Mass	451.21
Elemental Analysis	C, 79.80; H, 6.47; N, 3.10; O, 10.63
CAS #	2922283-37-0
PubChem CID	162679540
Appearance	Light brown to brown solid powder
LogP	6.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	34
Complexity	594
Defined Atom Stereocenter Count	0
SMILES	O(C1C=CC=CC=1)C1C(=CC2CCN(C)C(CC3C=CC(=CC=3)OC3C=CC=CC=3)C=2C=1)OC
InChi Key	BTNHPUSFPKFAPU-UHFFFAOYSA-N
InChi Code	InChI=1S/C30H29NO3/c1-31-18-17-23-20-29(32-2)30(34-25-11-7-4-8-12-25)21-27(23)28(31)19-22-13-15-26(16-14-22)33-24-9-5-3-6-10-24/h3-16,20-21,28H,17-19H2,1-2H3
Chemical Name	6-methoxy-2-methyl-7-phenoxy-1-[(4-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
Synonyms	SG-094; SG 094; SG094
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	TPC2[1]
ln Vitro	With an IC50 value of 3.7 μM, SG-094 (72 hours) exhibits anti-proliferative effects on RIL175 cells[1]. SG-094 (10 μM) inhibits TPC2 currents produced by PI(3,5)P2 on endolysosomes that are separated from HEK293 cells that express TPC2-EGFP [1]. Without lowering their total protein levels, SG-094 (10 μM; pretreatment for 1 h) dramatically decreased VEGF-induced activation of eNOS, JNK, MAPK, and AKT in HUVEC [1]. After glucose fasting, RIL175 WT cells' OCR/ECAR ratio rises in response to SG-094 (1–5 μM; pretreated for 1 hour) [1].
ln Vivo	In mice, SG-094 (90 nmol/kg; administered every 2-3 days for a 10-day period) suppresses the formation of hepatocellular carcinoma (HCC) tumors[1].
Cell Assay	Western Blot Analysis[1] Cell Types: HUVECs Tested Concentrations: 10 μM Incubation Duration:Pretreated for 1 h before stimulation with VEGF-A165 for 15 min Experimental Results: Dramatically diminished VEGF-induced phosphorylation of several downstream targets, such as eNOS, JNK, MAPK , and AKT.
Animal Protocol	Animal/Disease Models: C57Bl/6-Tyr mice were injected with RIL175 WT cells[1] Doses: 90 nmol/kg Route of Administration: Every 2-3 days over a 10-day timescale Experimental Results: Inhibited tumor growth.
References	[1]. Gene editing and synthetically accessible inhibitors reveal role for TPC2 in HCC cell proliferation and tumor growth. Cell Chem Biol. 2021 Aug 19;28(8):1119-1131.e27.

Solubility Data

Solubility (In Vitro)

Methanol: 125 mg/mL (276.82 mM) DMSO: 100 mg/mL (221.45 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.54 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 (5.54 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	2.2145 mL	11.0727 mL	22.1455 mL
	5 mM	0.4429 mL	2.2145 mL	4.4291 mL
	10 mM	0.2215 mL	1.1073 mL	2.2145 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.