56289-64-6

Basic information

• Product Name: 1,1',3,3,3',3'-HEXAMETHYL-4,5,4',5'-DIBENZOINDO-DICARBOCYANINE
• Synonyms: IR-676 IODIDE;IR-676 IODIDE, 1,1',3,3,3',3'-HEXAMETHYL-4,4',5,5'-DIBENZOINDODICARBOCYANINE IODIDE;1,1',3,3,3',3'-HEXAMETHYL-4,4',5,5'-DIBENZOINDODICARBOCYANINE IODIDE;1,1',3,3,3',3'-HEXAMETHYL-4,5,4',5'-DIBENZOINDO-DICARBOCYANINE;1,1,3-TRIMETHYL-2-[5-(1,1,3-TRIMETHYL-1,3-DIHYDRO-2H-BENZO[E]INDOL-2-YLIDENE)-1,3-PENTADIENYL]-1H-BENZO[E]INDOLIUM IODIDE;1,1,3-TRIMETHYL-2-[5-(1,1,3-TRIMETHYLBENZ[E] INDOLIN-2-YLIDENE)-1,3-PENTADIENYL]-1H-BENZ[E]INDOLIUM IODIDE;1,3,3,1',3',3'-HEXAMETHYL-4,5,4',5'-DIBENZOINDODICARBOCYANINE IODIDE;PD686
• CAS NO: 56289-64-6
• Molecular Formula: C₃₅H₃₅N₂*I
• Molecular Weight: 610.57
• Mol File: 56289-64-6.mol
• Article Data: 2

Chemical Properties

• Melting Point: 270 °C (dec.)(lit.)
• Appearance: /
• CAS DataBase Reference: 1,1',3,3,3',3'-HEXAMETHYL-4,5,4',5'-DIBENZOINDO-DICARBOCYANINE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1',3,3,3',3'-HEXAMETHYL-4,5,4',5'-DIBENZOINDO-DICARBOCYANINE(56289-64-6)
• EPA Substance Registry System: 1,1',3,3,3',3'-HEXAMETHYL-4,5,4',5'-DIBENZOINDO-DICARBOCYANINE(56289-64-6)

Safety Data

• Hazard Codes: T
• Statements: 61-42/43
• Safety Statements: 53-22-36/37/39-45
• WGK Germany: 3
• Hazardous Substances Data: 56289-64-6(Hazardous Substances Data)

Usage

General Description

1,1',3,3,3',3'-HEXAMETHYL-4,5,4',5'-DIBENZOINDO-DICARBOCYANINE is a chemical compound that belongs to the class of cyanine dyes. It is characterized by its long, extended conjugation system which results in strong absorption in the near-infrared region, making it useful in various applications such as fluorescence imaging and optical sensors. 1,1',3,3,3',3'-HEXAMETHYL-4,5,4',5'-DIBENZOINDO-DICARBOCYANINE is known for its high photostability and low toxicity, making it suitable for biological and medical applications. Its unique chemical structure and optical properties make it a valuable tool in scientific research and various technological applications.

InChI:InChI=1/C35H35N2.HI/c1-34(2)30(36(5)28-22-20-24-14-10-12-16-26(24)32(28)34)18-8-7-9-19-31-35(3,4)33-27-17-13-11-15-25(27)21-23-29(33)37(31)6;/h7-23H,1-6H3;1H/q+1;/p-1

Upstream product

• 23769-16-6 phenyl[3-phenylaminoprop-2-en-1-ylidene]ammonium chloride 
• 58464-25-8 1,1,2,3-tetramethyl-1H-benz[e]indol-3-ium iodide 
• 41532-84-7 2,3,3-trimethylbenzo[e]indole 
• 58467-94-0 N-((1E,3E)-3-(phenylimino)prop-1-enyl)benzenamine hydrochloride 

Downstream Products

• 1132970-46-7 C₃₅H₃₆N₂ 

Relevant articles and documents

Correlating molecular character of NIR imaging agents with tissue-specific uptake

Near-infrared (NIR) fluorescent contrast agents are emerging in optical imaging as sensitive, cost-effective, and nonharmful alternatives to current agents that emit harmful ionizing radiation. Developing spectrally distinct NIR fluorophores to visualize sensitive vital tissues to selectively avoid them during surgical resection of diseased tissue is of great significance. Herein, we report the synthetic variation of pentamethine cyanine fluorophores with modifications of physicochemical properties toward prompting tissue-specific uptake into sensitive tissues (i.e., endocrine glands). Tissue-specific targeting and biodistribution studies revealed localization of contrast agents in the adrenal and pituitary glands, pancreas, and lymph nodes with dependence on molecular characteristics. Incorporation of hydrophobic heterocyclic rings, alkyl groups, and halogens allowed a fine-tuning capability to the hydrophobic character and dipole moment for observing perturbation in biological activity in response to minor structural alterations. These NIR contrast agents have potential for clinical translation for intraoperative imaging in the delineation of delicate glands.