800CW acid

• CAT Number: I040435
• CAS Number: 1088919-86-1
• Molecular Formula: C46H50N2Na4O15S4
• Molecular Weight: 1091.11
• Purity: ≥95%
• Synonyms: tetrasodium;6-[2-[(E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-2-ylidene]ethylidene]-2-(4-sulfonatophenoxy)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-1-yl]hexanoate
• InChI: InChI=1S/C46H54N2O15S4.4Na/c1-45(2)37-29-35(66(57,58)59)20-22-39(37)47(26-7-5-6-13-43(49)50)41(45)24-14-31-11-10-12-32(44(31)63-33-16-18-34(19-17-33)65(54,55)56)15-25-42-46(3,4)38-30-36(67(60,61)62)21-23-40(38)48(42)27-8-9-28-64(51,52)53;;;;/h14-25,29-30H,5-13,26-28H2,1-4H3,(H4-,49,50,51,52,53,54,55,56,57,58,59,60,61,62);;;;/q;4*+1/p-4
• InChIKey: BFPWPNIEGFGULK-UHFFFAOYSA-J
• SMILES: CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC3=C(C(=CC=C4C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC(=C5)S(=O)(=O)[O-])(C)C)CCC3)OC6=CC=C(C=C6)S(=O)(=O)[O-])CCCCCC(=O)[O-])C.[Na+].[Na+].[Na+].[Na+]

800CW acid is a near-infrared (NIR) dye that can be used for protein labeling. 800CW acid can be used for in vivo imaging studies[1].

Reference

[1]. Li Y, et al. Monitoring Tumor Targeting and Treatment Effects of IRDye 800CW and GX1-Conjugated Polylactic Acid Nanoparticles Encapsulating Endostar on Glioma by Optical Molecular Imaging. Mol Imaging. 2015;14:356-65.
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