6-JOE SE | CAS 113394-23-3

Catalog Number	A19-0007
Category	DNA Stains
Molecular Formula	C27H17Cl2NO11
Molecular Weight	602.34

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Product Introduction

6-JOE SE is a fluorescent dye belonging to the xanthene class, characterized by its conjugated aromatic system that facilitates efficient light absorption and emission. It contains an amine-reactive succinimidyl ester (SE) functional group, enabling covalent attachment to proteins and other biomolecules, making it suitable for labeling applications. This dye is frequently utilized in fluorescence microscopy and flow cytometry for its distinct spectral properties, allowing for effective visualization in complex biological systems.

Chemical Information
Product Specification
Computed Properties
Patents

Chemical Information

Synonyms	6-JOE OSu; Spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-6-carboxylic acid, 4',5'-dichloro-3',6'-dihydroxy-2',7'-dimethoxy-3-oxo-, 2,5-dioxo-1-pyrrolidinyl ester; 2,5-Dioxo-1-pyrrolidinyl 4',5'-dichloro-3',6'-dihydroxy-2',7'-dimethoxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-6-carboxylate; 2,5-Pyrrolidinedione, 1-[[(4',5'-dichloro-3',6'-dihydroxy-2',7'-dimethoxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-6-yl)carbonyl]oxy]-; JOE NHS Ester; 2,5-dioxopyrrolidin-1-yl 4',5'-dichloro-3',6'-dihydroxy-2',7'-dimethoxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylate
Purity	≥95%
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 4',5'-dichloro-3',6'-dihydroxy-2',7'-dimethoxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylate
SMILES	COC1=C(C(=C2C(=C1)C3(C4=CC(=C(C(=C4O2)Cl)O)OC)C5=C(C=CC(=C5)C(=O)ON6C(=O)CCC6=O)C(=O)O3)Cl)O
InChI	InChI=1S/C27H17Cl2NO11/c1-37-15-8-13-23(19(28)21(15)33)39-24-14(9-16(38-2)22(34)20(24)29)27(13)12-7-10(3-4-11(12)26(36)40-27)25(35)41-30-17(31)5-6-18(30)32/h3-4,7-9,33-34H,5-6H2,1-2H3
InChIKey	UUVBVONAGUSCCH-UHFFFAOYSA-N
Density	1.79±0.1 g/cm3
Appearance	Solid
Boiling Point	835.6±75.0°C at 760 mmHg

Product Specification

Storage	Store at -20°C
Signal	Warning
GHSHazardStatements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes	P261, P264, P271, P280, P302+P352, P304+P340, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.)

Computed Properties

XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Exact Mass	601.0178657 g/mol
Monoisotopic Mass	601.0178657 g/mol
Topological Polar Surface Area	158Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	1060
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Patents

Publication Number	Title	Priority Date
WO-2022241209-A1	Compositions and methods for use in identifying or quantifying microorganisms	2021-05-13
WO-2022152777-A1	Storage stable caged haptens	2021-01-15
WO-2022136651-A1	Method for determining active sars-cov-2 infections	2020-12-23
WO-2022119932-A1	Anti-human cd10 antibodies for use in immunohistochemistry (ihc) protocols to diagnose cancer	2020-12-02
EP-4087587-A1	Targeted and localized in vivo delivery of oligonucleotides	2020-01-11