JI051 is an inhibitor of the cancer-associated transcription factor Hes1 via the PHB2 chaperone. JI051 stabilizes PHB2's interaction with Hes1 outside the nucleus, inducing G2/M cell cycle arrest.

Physicochemical Properties

Molecular Formula	C22H24N2O3
Molecular Weight	364.437565803528
Exact Mass	364.178
CAS #	2234281-75-3
Related CAS #	2234281-75-3;
PubChem CID	138319697
Appearance	Light yellow to yellow solid powder
LogP	4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	27
Complexity	496
Defined Atom Stereocenter Count	0
SMILES	O(CC)C1C=CC=CC=1CCNC(/C=C/C1=CNC2C(=CC=CC=21)OC)=O
InChi Key	XIXIBPRUNJKZQI-VAWYXSNFSA-N
InChi Code	InChI=1S/C22H24N2O3/c1-3-27-19-9-5-4-7-16(19)13-14-23-21(25)12-11-18-15-17-8-6-10-20(26-2)22(17)24-18/h4-12,15,24H,3,13-14H2,1-2H3,(H,23,25)/b12-11+
Chemical Name	(E)-N-(2-Ethoxyphenethyl)-3-(7-methoxy-1H-indol-2-yl)acrylamide
Synonyms	JI051 JI-051 JI 051
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	G2/M cell cycle arrest is caused by JI051 [1]. HEK293 cell growth is markedly inhibited by JI051 (0.1-10 µM, 24 hours) with an EC50 of 0.3 µM [1].
Cell Assay	Cell Proliferation Assay[1] Cell Types: HEK293 Cell Tested Concentrations: 0.1-10 µM Incubation Duration: 24 hrs (hours) Experimental Results: Dose-dependent inhibition of HEK293 cell proliferation at low concentrations.
References	[1]. Small-molecule screening yields a compound that inhibits the cancer-associated transcription factor Hes1 via the PHB2 chaperone. J Biol Chem. 2018 May 25;293(21):8285-8294.

Solubility Data

Solubility (In Vitro)

DMSO : ~125 mg/mL (~342.99 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.71 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 20.8 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: ≥ 2.08 mg/mL (5.71 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 20.8 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	2.7439 mL	13.7197 mL	27.4394 mL
	5 mM	0.5488 mL	2.7439 mL	5.4879 mL
	10 mM	0.2744 mL	1.3720 mL	2.7439 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.