BPBA (2-Bromopyridine-5-boronic acid) is a new labeling reagent for derivatization of brassinosteroids (BRs).

Physicochemical Properties

Molecular Formula	C5H5BBRNO2
Molecular Weight	201.81
Exact Mass	200.959
CAS #	223463-14-7
PubChem CID	2762706
Appearance	White to off-white solid powder
Density	1.8±0.1 g/cm3
Boiling Point	358.2±52.0 °C at 760 mmHg
Melting Point	161-166 °C
Flash Point	170.4±30.7 °C
Vapour Pressure	0.0±0.8 mmHg at 25°C
Index of Refraction	1.602
LogP	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Complexity	114
Defined Atom Stereocenter Count	0
SMILES	C1=CC(=NC=C1B(O)O)Br
InChi Key	BCYWDUVHAPHGIP-UHFFFAOYSA-N
InChi Code	InChI=1S/C5H5BBrNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3,9-10H
Chemical Name	(6-bromopyridin-3-yl)boronic acid
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

References

[1]. A New Derivatization Approach for the Rapid and Sensitive Analysis of Brassinosteroids by Using Ultra High Performance Liquid Chromatography-Electrospray Ionization Triple Quadrupole Mass Spectrometry. Talanta. 2012 Sep 15;99:420-5.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (495.52 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (12.39 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 (12.39 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (12.39 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	4.9552 mL	24.7758 mL	49.5516 mL
	5 mM	0.9910 mL	4.9552 mL	9.9103 mL
	10 mM	0.4955 mL	2.4776 mL	4.9552 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.