Luciferase-IN-1 is a luciferase inhibitor.

Physicochemical Properties

Molecular Formula	C15H14N2S
Molecular Weight	254.35
Exact Mass	254.088
CAS #	10205-56-8
PubChem CID	95755
Appearance	Light yellow to brown solid powder
Density	1.213g/cm3
Boiling Point	414.1ºC at 760mmHg
Flash Point	204.2ºC
Vapour Pressure	4.58E-07mmHg at 25°C
Index of Refraction	1.683
LogP	4.029
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	18
Complexity	274
Defined Atom Stereocenter Count	0
InChi Key	HYKGLCSXVAAXNC-UHFFFAOYSA-N
InChi Code	InChI=1S/C15H14N2S/c1-17(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10H,1-2H3
Chemical Name	4-(1,3-benzothiazol-2-yl)-N,N-dimethylaniline
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	An inhibitor of luciferase is called Luciferase-IN-1[1].
References	[1]. A basis for reduced chemical library inhibition of firefly luciferase obtained from directed evolution. J Med Chem. 2009;52(5):1450-1458.

Solubility Data

Solubility (In Vitro)

DMSO: 10 mg/mL (39.32 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1 mg/mL (3.93 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 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: 1 mg/mL (3.93 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 ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 10.0 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	3.9316 mL	19.6580 mL	39.3159 mL
	5 mM	0.7863 mL	3.9316 mL	7.8632 mL
	10 mM	0.3932 mL	1.9658 mL	3.9316 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.