CycLuc1, a synthetic luciferase substrate, is a brain penetrant luciferase substrate which displays NIR emission. It improves bioluminescence imaging for intracranial glioblastoma xenografts.

Physicochemical Properties

Molecular Formula	C₁₃H₁₁N₃O₂S₂
Molecular Weight	305.375339746475
Exact Mass	305.029
CAS #	1247879-16-8
PubChem CID	91885395
Appearance	Yellow to brown solid powder
Density	1.8±0.1 g/cm3
Boiling Point	606.8±65.0 °C at 760 mmHg
Flash Point	320.8±34.3 °C
Vapour Pressure	0.0±1.8 mmHg at 25°C
Index of Refraction	1.929
LogP	1.01
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	20
Complexity	459
Defined Atom Stereocenter Count	1
SMILES	C1CNC2=CC3=C(C=C21)N=C(S3)C4=N[C@H](CS4)C(=O)O
InChi Key	HBZBAMXERPYTFS-SECBINFHSA-N
InChi Code	InChI=1S/C13H11N3O2S2/c17-13(18)9-5-19-11(16-9)12-15-8-3-6-1-2-14-7(6)4-10(8)20-12/h3-4,9,14H,1-2,5H2,(H,17,18)/t9-/m1/s1
Chemical Name	(4S)-2-(6,7-Dihydro-5H-pyrrolo[3,2-f]benzothiazol-2-yl)-4,5-dihydro-4-thiazolecarboxylic acid
Synonyms	CycLuc1 CycLuc 1CycLuc-1
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 Note: This product requires protection from light (avoid light exposure) during transportation and storage.
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]. Abstract 4112: Synthetic luciferin, CycLuc1, improves bioluminescence imaging for intracranial glioblastoma xenografts. 10.1158/1538-7445.AM2018-4112. [2]. A synthetic luciferin improves bioluminescence imaging in live mice. Nat Methods. 2014 Apr;11(4):393-5. doi: 10.1038/nmeth.2839. Epub 2014 Feb 9. Erratum in: Nat Methods. 2014 Apr;11(4):395.

Solubility Data

Solubility (In Vitro)

DMSO : ≥ 83.33 mg/mL (~272.87 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (6.81 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 20.8 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: ≥ 2.08 mg/mL (6.81 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 20.8 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	3.2746 mL	16.3730 mL	32.7461 mL
	5 mM	0.6549 mL	3.2746 mL	6.5492 mL
	10 mM	0.3275 mL	1.6373 mL	3.2746 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.