Cyanine5 NHS ester chloride is a red fluorescent dye used to label amino groups in peptides, proteins and oligonucleotides.

Physicochemical Properties

Molecular Formula	C36H42CLN3O4
Molecular Weight	616.19
Exact Mass	615.286
CAS #	1032678-42-4
Related CAS #	Cyanine5 NHS ester iodide;Cyanine5 NHS ester bromide;1653991-59-3
PubChem CID	139592716
Appearance	Typically exists as solid at room temperature
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	13
Heavy Atom Count	46
Complexity	1230
Defined Atom Stereocenter Count	0
SMILES	Cl[H].O(C(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C2=C([H])C([H])=C([H])C([H])=C2C(C([H])([H])[H])(C([H])([H])[H])/C/1=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])/C1C(C([H])([H])[H])(C([H])([H])[H])C2=C([H])C([H])=C([H])C([H])=C2[N+]=1C([H])([H])[H])=O)N1C(C([H])([H])C([H])([H])C1=O)=O
InChi Key	DOOTYHJFDNJMLS-UHFFFAOYSA-M
InChi Code	InChI=1S/C38H46N3O4.ClH/c1-37(2)28-18-13-15-20-30(28)39(5)32(37)22-10-9-11-23-33-38(3,4)29-19-14-16-21-31(29)40(33)27-17-8-6-7-12-24-36(44)45-41-34(42)25-26-35(41)43;/h9-11,13-16,18-23H,6-8,12,17,24-27H2,1-5H3;1H/q+1;/p-1
Chemical Name	(2,5-dioxopyrrolidin-1-yl) 8-[(2Z)-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]octanoate;chloride
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	End-capping Poly(β-amino esters) (pBAEs) backbones are achieved by reacting the free amino group on the cysteine amino acid with cyanine-5 NHS ester amine-reactive red emitting fluorescent dye[1].
References	[1]. Oligopeptide-modified poly(beta-amino ester)s-coated AdNuPARmE1A: Boosting the efficacy of intravenously administered therapeutic adenoviruses. Theranostics. 2020;10(6):2744-2758.

Solubility Data

Solubility (In Vitro)

DMSO: 250 mg/mL (405.72 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (3.38 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 (3.38 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	1.6229 mL	8.1144 mL	16.2288 mL
	5 mM	0.3246 mL	1.6229 mL	3.2458 mL
	10 mM	0.1623 mL	0.8114 mL	1.6229 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.