BTL-105 is a monobiotinylated Phos-tag analogue that may be utilized to detect phosphopeptides and phosphoproteins. Phos-tag is a functional molecule that can specifically bind to phosphate ions.

Physicochemical Properties

Molecular Formula	C46H61N11O5S
Molecular Weight	880.112248182297
Exact Mass	879.457
CAS #	945007-11-4
PubChem CID	57783142
Appearance	Off-white to light yellow solid powder
LogP	1
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	27
Heavy Atom Count	63
Complexity	1370
Defined Atom Stereocenter Count	3
SMILES	C([C@@H]1SC[C@@H]2NC(N[C@H]12)=O)CCCC(=O)NCCCCCC(=O)NCCNC(C1C=NC(CN(CC(O)CN(CC2N=CC=CC=2)CC2N=CC=CC=2)CC2N=CC=CC=2)=CC=1)=O
InChi Key	PNPDCNDQKOQNLS-GDCWZEBOSA-N
InChi Code	InChI=1S/C46H61N11O5S/c58-39(31-56(27-35-12-5-9-20-47-35)28-36-13-6-10-21-48-36)32-57(29-37-14-7-11-22-49-37)30-38-19-18-34(26-53-38)45(61)52-25-24-51-43(60)16-2-1-8-23-50-42(59)17-4-3-15-41-44-40(33-63-41)54-46(62)55-44/h5-7,9-14,18-22,26,39-41,44,58H,1-4,8,15-17,23-25,27-33H2,(H,50,59)(H,51,60)(H,52,61)(H2,54,55,62)/t39?,40-,41-,44-/m0/s1
Chemical Name	N-[2-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]ethyl]-6-[[[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]-(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide
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]. Method for measuring a surface plasmon resonance and noble metal compound used for the same. US20090185181A1.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (113.62 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (2.84 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 (2.84 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.1362 mL	5.6811 mL	11.3622 mL
	5 mM	0.2272 mL	1.1362 mL	2.2724 mL
	10 mM	0.1136 mL	0.5681 mL	1.1362 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.