BP-1-102 is a potent, orally bioavailable and selective STAT3 inhibitor, which binds Stat3 with an affinity Kd of 504 nM. BP-1-102 inhibits Stat3 DNA-binding activity in vitro, with an IC50 value of 6.8±0.8 μM. It blocks Stat3-phospho-tyrosine peptide interactions and Stat3 activation at 4-6.8 μM, and selectively inhibits growth, survival, migration, and invasion of Stat3-dependent tumor cells. BP-1-102-mediated inhibition of aberrantly active Stat3 in tumor cells suppresses the expression of c-Myc, Cyclin D1, Bcl-xL, Survivin, VEGF, and Krüppel-like factor 8.

Physicochemical Properties

Molecular Formula	C29H27F5N2O6S
Molecular Weight	626.59
Exact Mass	626.151
CAS #	1334493-07-0
Related CAS #	1334493-07-0
PubChem CID	53388144
Appearance	White to off-white solid powder
Density	1.5±0.1 g/cm3
Boiling Point	749.2±70.0 °C at 760 mmHg
Flash Point	406.9±35.7 °C
Vapour Pressure	0.0±2.6 mmHg at 25°C
Index of Refraction	1.601
LogP	7.77
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	9
Heavy Atom Count	43
Complexity	1050
Defined Atom Stereocenter Count	0
InChi Key	WNVSFFVDMUSXSX-UHFFFAOYSA-N
InChi Code	InChI=1S/C29H27F5N2O6S/c1-35(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)15-22(38)36(19-11-12-20(29(39)40)21(37)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17,37H,2-6,14-15H2,1H3,(H,39,40)
Chemical Name	4-[(4-cyclohexylphenyl)methyl-[2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]acetyl]amino]-2-hydroxybenzoic acid
Synonyms	BP1102; BP-1102; BP 1102;BP-1-102; BP1-102; BP 1-102
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	The affinity KD of BP-1-102 for Stat3 is 504 nM. In vitro, Stat3 DNA-binding activity is inhibited by BP-1-102, with an IC50 value of 6.8±0.8 μM. It specifically suppresses the growth, survival, migration, and invasion of tumor cells dependent on Stat3 and disrupts interactions between Stat3 and phospho-tyrosine peptides, as well as Stat3 activation at 4-6.8 μM. The suppression of aberrantly active Stat3 in tumor cells by BP-1-102 reduces the expression of Krüppel-like factor 8, c-Myc, Cyclin D1, Bcl-xL, Survivin, VEGF, and Cyclin D1[1].
ln Vivo	Mice therapeutically fed BP-1-102, an orally accessible drug targeting STAT3/NF-kB activation and cross-talk, exhibit reduced colon carcinogenesis and diminished production of STAT3/NF-kB-activating cytokines in the neoplastic areas[2]. BP -1-102 is orally accessible and that the drug accumulates in tumor tissues at levels adequate to inhibit aberrantly active Stat3 actions and decrease tumor growth[1].
Animal Protocol	BP-1-102 dissolved in 0.05% DMSO in water; 1 or 3mg/kg (i.v.) every 2 or every 3 d or 3 mg/kg (oral gavage, 100 μL) every day for 15 or 20 d. Athymic nude mice with established tumors
References	[1]. Orally bioavailable small-molecule inhibitor of transcription factor Stat3 regresses human breast and lung cancer xenografts. Proc Natl Acad Sci U S A. 2012 Jun 12;109(24):9623-8. [2]. Th17-type cytokines, IL-6 and TNF-α synergistically activate STAT3 and NF-kB to promote colorectal cancer cell growth. Oncogene. 2015 Jul;34(27):3493-503.

Solubility Data

Solubility (In Vitro)

DMSO:100 mg/mL (159.6 mM) Water:<1 mg/mL Ethanol:<1 mg/mL

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (3.99 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 (3.99 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	1.5959 mL	7.9797 mL	15.9594 mL
	5 mM	0.3192 mL	1.5959 mL	3.1919 mL
	10 mM	0.1596 mL	0.7980 mL	1.5959 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.