3326-31-6

Basic information

• Product Name: 3',6'-Dihydroxy-6-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
• Synonyms: 3',6'-dihydroxy-6-isothiocyanatospiro[isobenzofuran-1(3h),9'-[9h]xanthen]-3-one;FLUORESCEIN-6-ISOTHIOCYANATE;Fluorescein-4-isothiocyanate (FITC-II);Fluorescein 6-isothiocyanate isoMer I;3',6'-Dihydroxy-6-isothiocyanato-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one
• CAS NO: 3326-31-6
• Molecular Formula: C₂₁H₁₁NO₅S
• Molecular Weight: 389.38
• EINECS: 248-207-7
• Mol File: 3326-31-6.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 719.1°C at 760 mmHg
• Flash Point: 388.7°C
• Appearance: /
• Density: 1.54g/cm³
• Vapor Pressure: 2.28E-21mmHg at 25°C
• Refractive Index: 1.753
• Storage Temp.: 2-8°C
• PKA: 9.31±0.20(Predicted)
• CAS DataBase Reference: 3',6'-Dihydroxy-6-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3',6'-Dihydroxy-6-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one(3326-31-6)
• EPA Substance Registry System: 3',6'-Dihydroxy-6-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one(3326-31-6)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-42/43
• Safety Statements: 26-36
• Hazardous Substances Data: 3326-31-6(Hazardous Substances Data)

Usage

Description

3',6'-Dihydroxy-6-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one is a complex organic compound characterized by its unique molecular structure. It is a derivative of spiro compounds, which are composed of two rings fused together in a spiro arrangement. The presence of hydroxy and isothiocyanato functional groups in its structure endows it with specific chemical properties and potential applications in various fields.

Uses

Used in Pharmaceutical Industry:
3',6'-Dihydroxy-6-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one is used as a pharmaceutical compound for its potential therapeutic applications. The hydroxy and isothiocyanato groups in its structure may allow for interactions with biological targets, making it a candidate for the development of new drugs.
Used in Fluorescence Polarization Binding Assays:
In the field of biochemistry and molecular biology, 3',6'-Dihydroxy-6-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one is used as a fluorescent reagent. It is particularly useful in fluorescence polarization binding assays, where it can be employed to develop inhibitors of specific protein targets, such as the inactive p38α Mitogen-activated protein kinase (MAPK). 3',6'-Dihydroxy-6-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one's fluorescence properties enable the monitoring of binding events and the assessment of compound efficacy in inhibiting the target protein.
Used in Drug Delivery Systems:
Similar to gallotannin, 3',6'-Dihydroxy-6-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one may also be utilized in the development of drug delivery systems. Its unique structure and functional groups could be exploited to improve the delivery, bioavailability, and therapeutic outcomes of various drugs, particularly in the context of cancer treatment. Organic and metallic nanoparticles could be employed as carriers for this compound, enhancing its potential applications in the pharmaceutical industry.

InChI:InChI=1/C21H11NO5S/c23-12-2-5-15-18(8-12)26-19-9-13(24)3-6-16(19)21(15)17-7-11(22-10-28)1-4-14(17)20(25)27-21/h1-9,23-24H

Downstream Products

• 2321-07-5 fluorescein 
• 1219601-72-5 C₃₃H₃₇N₅O₁₀S 
• 1219601-71-4 C₃₃H₃₇N₅O₁₀S 
• 1581884-54-9 C₆₆H₉₅N₃O₉S 

Relevant articles and documents

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