B I09 is an inhibitor (blocker/antagonist) of IRE-1 ribonuclease with IC50 of 1230 nM.

Physicochemical Properties

Molecular Formula	C16H17NO5
Molecular Weight	303.309884786606
Exact Mass	303.11
CAS #	1607803-67-7
PubChem CID	86290458
Appearance	Yellow to brown solid powder
LogP	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	22
Complexity	485
Defined Atom Stereocenter Count	0
SMILES	C1NCCC2C3=CC=C(O)C(C4OCCCO4)=C3OC(=O)C1=2
InChi Key	UYYMWNUDIOPESF-UHFFFAOYSA-N
InChi Code	InChI=1S/C16H17NO5/c18-12-3-2-10-9-4-5-17-8-11(9)15(19)22-14(10)13(12)16-20-6-1-7-21-16/h2-3,16-18H,1,4-8H2
Chemical Name	7-(1,3-dioxan-2-yl)-8-hydroxy-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
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: (1). This product requires protection from light (avoid light exposure) during transportation and storage.(2). This product is not stable in solution, please use freshly prepared working solution for optimal results.
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	I09 has an IC50 of 1230 nM, making it an inhibitor of IRE-1 RNase[1]. Applying this inhibitor (B I09) to CLL cells causes symptoms similar to XBP-1 deficiency, such as increased IRE-1 expression and disrupted BCR signaling. B I09 has the ability to efficiently block the expression of XBP-1 in LPS-stimulated B cells and the splicing of XBP1 mRNA in human WaC3 cells [2].
ln Vivo	I09 has a half-life of roughly 1.5 hours, and 15 minutes after treatment, mouse plasma reaches peak concentrations of about 39 μM. B I09 administration to mice with CLL tumors prevents the spread of leukemia by triggering apoptosis without harming the body as a whole [2].
References	[1]. Synthesis of novel tricyclic chromenone-based inhibitors of IRE-1 RNase activity. J Med Chem. 2014 May 22;57(10):4289-301. [2]. Inhibition of ER stress-associated IRE-1/XBP-1 pathway reduces leukemic cell survival. J Clin Invest. 2014 Jun;124(6):2585-98.

Solubility Data

Solubility (In Vitro)

DMSO : ~8.33 mg/mL (~27.46 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.5 mg/mL (8.24 mM) in 10% DMSO + 90% (20% SBE-β-CD in 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.2970 mL	16.4848 mL	32.9696 mL
	5 mM	0.6594 mL	3.2970 mL	6.5939 mL
	10 mM	0.3297 mL	1.6485 mL	3.2970 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.