Synonym
Omocianine; ZK203468; ZK-203468; ZK 203468
IUPAC/Chemical Name
Trihydrogen 2-((1E,3E,5E)-7-((2E)-3,3-dimethyl-5-sulfonato-1-(2-sulfonatoethyl)-1,3-dihydro-2H-indol-2-ylidene)-4-methylhepta-1,3,5-trienyl)-3,3-dimethyl-1-(2-sulfonatoethyl)-3H-indolium-5-sulfonate
InChi Key
PEHCOZUAYATSAW-UHFFFAOYSA-K
InChi Code
InChI=1S/3C32H38N2O12S4/c3*1-22(8-6-10-29-31(2,3)25-20-23(49(41,42)43)12-14-27(25)33(29)16-18-47(35,36)37)9-7-11-30-32(4,5)26-21-24(50(44,45)46)13-15-28(26)34(30)17-19-48(38,39)40/h3*6-15,20-21H,16-19H2,1-5H3,(H3-,35,36,37,38,39,40,41,42,43,44,45,46)/p-3
SMILES Code
O=S(C1=CC2=C([N+](CCS(=O)([O-])=O)=C(/C=C/C=C(C)/C=C/C=C3N(CCS(=O)([O-])=O)C4=C(C=C(S(=O)([O-])=O)C=C4)C/3(C)C)C2(C)C)C=C1)(O)=O.O=S(C5=CC6=C([N+](CCS(=O)([O-])=O)=C(/C=C/C=C(C)/C=C/C=C7N(CCS(=O)([O-])=O)C8=C(C=C(S(=O)([O-])=O)C=C8)C/7(C)C)C6(C)C)C=C5)(O)=O.O=S(C9=CC%10=C([N+](CCS(=O)([O-])=O)=C(/C=C/C=C(C)/C=C/C=C%11N(CCS(=O)([O-])=O)C%12=C(C=C(S(=O)([O-])=O)C=C%12)C/%11(C)C)C%10(C)C)C=C9)(O)=O.[H+].[H+].[H+]
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
Preparing Stock Solutions
The following data is based on the
product
molecular weight
2,309.67
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1: Poellinger A, Persigehl T, Mahler M, Bahner M, Ponder SL, Diekmann F, Bremer C, Moesta T. Near-infrared imaging of the breast using omocianine as a fluorescent dye: results of a placebo-controlled, clinical, multicenter trial. Invest Radiol. 2011 Nov;46(11):697-704. doi: 10.1097/RLI.0b013e318229ff25. PMID: 21788905.
2: Grosenick D, Bremer C. Fluorescence Imaging of Breast Tumors and Gastrointestinal Cancer. Recent Results Cancer Res. 2020;216:591-624. doi: 10.1007/978-3-030-42618-7_18. PMID: 32594400.
3: Poellinger A. Near-infrared imaging of breast cancer using optical contrast agents. J Biophotonics. 2012 Nov;5(11-12):815-26. doi: 10.1002/jbio.201200123. PMID: 23132668.
4: van de Ven S, Wiethoff A, Nielsen T, Brendel B, van der Voort M, Nachabe R, Van der Mark M, Van Beek M, Bakker L, Fels L, Elias S, Luijten P, Mali W. A novel fluorescent imaging agent for diffuse optical tomography of the breast: first clinical experience in patients. Mol Imaging Biol. 2010 Jun;12(3):343-8. doi: 10.1007/s11307-009-0269-1. Epub 2009 Oct 2. PMID: 19798535; PMCID: PMC2864903.
