BTL-104 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	C40H50N10O4S
Molecular Weight	766.954606533051
Exact Mass	766.373
CAS #	753451-66-0
PubChem CID	11996427
Appearance	Typically exists as solid at room temperature
LogP	0.7
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	21
Heavy Atom Count	55
Complexity	1170
Defined Atom Stereocenter Count	3
SMILES	C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCNC(=O)C3=CN=C(C=C3)CN(CC4=CC=CC=N4)CC(CN(CC5=CC=CC=N5)CC6=CC=CC=N6)O)NC(=O)N2
InChi Key	UDSBDKQVXFAEAK-PEJPBKHASA-N
InChi Code	InChI=1S/C40H50N10O4S/c51-34(26-49(22-30-9-3-6-16-41-30)23-31-10-4-7-17-42-31)27-50(24-32-11-5-8-18-43-32)25-33-15-14-29(21-46-33)39(53)45-20-19-44-37(52)13-2-1-12-36-38-35(28-55-36)47-40(54)48-38/h3-11,14-18,21,34-36,38,51H,1-2,12-13,19-20,22-28H2,(H,44,52)(H,45,53)(H2,47,48,54)/t34?,35-,36-,38-/m0/s1
Chemical Name	N-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]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]. Highly sensitive detection of protein phosphorylation by using improved Phos-tag Biotin. Proteomics. 2012 Apr;12(7):932-7.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (130.39 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (3.26 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 (3.26 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 (3.26 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	1.3039 mL	6.5193 mL	13.0387 mL
	5 mM	0.2608 mL	1.3039 mL	2.6077 mL
	10 mM	0.1304 mL	0.6519 mL	1.3039 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.