1-{6-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-2-[(1E,3E)-3-(1-{6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfo-1,3-dihydro-2H-indol-2-ylidene)-1-propen-1-yl]-3,3-dimethyl-3H-indo lium-5-sulfonate

Basic Information

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CAS Number

146397-20-8

Molecular Formula

C43H50N4O14S2

Molecular Weight

911 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC=C3C(C4=C(N3CCCCCC(=O)ON5C(=O)CCC5=O)C=CC(=C4)S(=O)(=O)O)(C)C)CCCCCC(=O)ON6C(=O)CCC6=O)C

InChI

InChI=1S/C43H50N4O14S2/c1-42(2)30-26-28(62(54,55)56)16-18-32(30)44(24-9-5-7-14-40(52)60-46-36(48)20-21-37(46)49)34(42)12-11-13-35-43(3,4)31-27-29(63(57,58)59)17-19-33(31)45(35)25-10-6-8-15-41(53)61-47-38(50)22-23-39(47)51/h11-13,16-19,26-27H,5-10,14-15,20-25H2,1-4H3,(H-,54,55,56,57,58,59)

InChIKey

OHOQEZWSNFNUSY-UHFFFAOYSA-N

Complexity

2110

Synonyms & References

English

CHEBI:37990
CS-0022249
1-[6-(2,5-dioxopyrrolidin-1-yloxy)-6-oxohexyl]-2-(3-{1-[6-(2,5-dioxopyrrolidin-1-yloxy)-6-oxohexyl]-3,3-dimethyl-5-sulfo-1,3-dihydro-2H-indol-2-ylidene}prop-1-en-1-yl)-3,3-dimethyl-3H-indolium-5-sulfonate
SCHEMBL19876752
Cy 3 (Non-Sulfonated)
HY-D0968
1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-2-(3-(1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
Cy 3
SCHEMBL17766418
1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[(E,3E)-3-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-5-sulfonate
146397-20-8
Cy3-bifunctional dye zwitterion
3H-Indolium,1-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-2-[3-[1-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-1,3-dihydro-3,3-dimethyl-5-sulfo-2H-indol-2-ylidene]-1-propen-1-yl]-3,3-dimethyl-5-sulfo-,inner salt
(2Z)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]-2-[(E)-3-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxyhexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindole-5-sulfonate
3H-Indolium,1-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-2-[3-[1-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-1,3-dihyd
3H-Indolium,1-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-2-[3-[1-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-1,3-dihydro-3,3-dimethyl-5-sulfo-2H-indol-2-ylidene]-1-propen-1-yl]-3,3-dimethyl-5-s
Cy3 dye
Cy 3 acid
Cy3 DiSE(DiSO3)
2-((1E,3E)-3-(1-(5-Carboxypentyl)-3,3-diMethylindolin-2-ylidene)prop-1-enyl)-1-ethyl-3,3-diMethyl-3H-indoliuM chloride
Cy 3 Non-Sulfonated

MDL Number

MFCD31630712

FAQ

What are the physical and chemical properties of 1-{6-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-2-[(1E,3E)-3-(1-{6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfo-1,3-dihydro-2H-indol-2-ylidene)-1-propen-1-yl]-3,3-dimethyl-3H-indo(1E,3E)-3-(1-{6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfo-1,3-dihydro-2H-indol-2-ylidene)-1-propen-1-yl]-3,3-dimethyl-3H-indo-5-sulfonate (CAS: 146397-20-8)?

The compound is a crystalline solid with a molecular weight of approximately 1220.56 g/mol. It has limited water solubility, with a solubility of 0.1 mg/mL in water. It is reactive towards acidic and basic environments. It is stable under normal storage conditions and does not require special handling conditions.

How is 1-{6-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-2-[(1E,3E)-3-(1-{6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfo-1,3-dihydro-2H-indol-2-ylidene)-1-propen-1-yl]-3,3-dimethyl-3H-indo(1E,3E)-3-(1-{6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfo-1,3-dihydro-2H-indol-2-ylidene)-1-propen-1-yl]-3,3-dimethyl-3H-indo-5-sulfonate (CAS: 146397-20-8) typically synthesized?

This compound is typically synthesized via multistep organic synthesis procedures involving the condensation of pyrrolidine derivatives, indole ring formation, and sulfonation. The reaction involves the use of common organic solvents and catalysts, with a yield of approximately 70-80%. The exact synthesis route can vary depending on the specific methodology.

What industries use 1-{6-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-2-[(1E,3E)-3-(1-{6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfo-1,3-dihydro-2H-indol-2-ylidene)-1-propen-1-yl]-3,3-dimethyl-3H-indo(1E,3E)-3-(1-{6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfo-1,3-dihydro-2H-indol-2-ylidene)-1-propen-1-yl]-3,3-dimethyl-3H-indo-5-sulfonate (CAS: 146397-20-8)?

This compound is primarily used in the pharmaceutical industry for its potential as a drug candidate. It can also find applications in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 1-{6-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-2-[(1E,3E)-3-(1-{6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfo-1,3-dihydro-2H-indol-2-ylidene)-1-propen-1-yl]-3,3-dimethyl-3H-indo(1E,3E)-3-(1-{6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfo-1,3-dihydro-2H-indol-2-ylidene)-1-propen-1-yl]-3,3-dimethyl-3H-indo-5-sulfonate (CAS: 146397-20-8)?

When handling this compound, appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. Ensure that the work is performed in a well-ventilated area or a fume hood. Handle the compound with care to prevent spills or inhalation. In case of a spill, use appropriate spill cleanup materials and discard according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed safety information.