IR 813 tosylate

For research use only. Not for therapeutic Use.

  • CAT Number: I042716
  • CAS Number: 134127-48-3
  • Molecular Formula: C47H47ClN2O3S
  • Molecular Weight: 755.41
  • Purity: ≥95%
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IR 813 tosylate(Cat No.:I042716)is a chemical compound that acts as a potent inhibitor in various biochemical studies. It is a tosylate salt form of IR 813, a dye with potential applications in photodynamic therapy (PDT) and other therapeutic areas. The compound exhibits unique properties that allow it to interact with specific biological targets, such as enzymes or receptors, making it useful in studying cellular processes or in the development of targeted therapies. Research into IR 813 tosylate is ongoing, focusing on its role in cancer treatment and its efficacy in inducing cellular damage in malignant cells.


CAS Number 134127-48-3
Synonyms

(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1,3-trimethylbenzo[e]indole;4-methylbenzenesulfonate

Molecular Formula C47H47ClN2O3S
Purity ≥95%
IUPAC Name (2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1,3-trimethylbenzo[e]indole;4-methylbenzenesulfonate
InChI InChI=1S/C40H40ClN2.C7H8O3S/c1-39(2)34(42(5)32-22-18-26-12-7-9-16-30(26)36(32)39)24-20-28-14-11-15-29(38(28)41)21-25-35-40(3,4)37-31-17-10-8-13-27(31)19-23-33(37)43(35)6;1-6-2-4-7(5-3-6)11(8,9)10/h7-10,12-13,16-25H,11,14-15H2,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey LQVQHHTYXSPHSQ-UHFFFAOYSA-M
SMILES CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C4=C(/C(=C/C=C/5\C(C6=C(N5C)C=CC7=CC=CC=C76)(C)C)/CCC4)Cl)C

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