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2-(6-(Bis(carboxymethyl)amino)-5-(2-(2-(bis(carboxymethyl)amino)-5-methylphenoxy)ethoxy)-2-benzofuranyl)-5-oxazolecarboxylic acid

HCID 57054
NotesReactions
Basic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
96314-98-6
Standard SMILES
Cc1ccc(N(CC(=O)O)CC(=O)O)c(OCCOc2cc3cc(-c4ncc(C(=O)O)o4)oc3cc2N(CC(=O)O)CC(=O)O)c1
InChIKey
YFHXZQPUBCBNIP-UHFFFAOYSA-N
Molecular formula
C29H27N3O14
Average molar mass
641.5 g/mol
Monoisotopic mass
641.14930254

Overview

A fluorescent calcium chelating agent which is used to study intracellular calcium in tissues.

Names & identifiers

Preferred name
2-(6-(Bis(carboxymethyl)amino)-5-(2-(2-(bis(carboxymethyl)amino)-5-methylphenoxy)ethoxy)-2-benzofuranyl)-5-oxazolecarboxylic acid
IUPAC
2-[6-[bis(carboxymethyl)amino]-5-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylic acid
English name
FURA 2
Molecular formula
C29H27N3O14
Molecular weight
641.54

Names & synonyms

FURA-296314-98-6FURA 2TSN3DL106G2-(6-(BIS(CARBOXYMETHYL)AMINO)-5-(2-(2-(BIS(CARBOXYMETHYL)AMINO)-5-METHYLPHENOXY)ETHOXY)-2-BENZOFURANYL)-5-OXAZOLECARBOXYLIC ACIDDTXSID202422035-Oxazolecarboxylic acid, 2-(6-(bis(carboxymethyl)amino)-5-(2-(2-(bis(carboxymethyl)amino)-5-methylphenoxy)ethoxy)-2-benzofuranyl)-RefChem:141725DTXCID80164694Fura-2;Fura22-[6-[bis(carboxymethyl)amino]-5-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylic acidFura-2 (sodium salt)
Show more names
1-(2-[5-CARBOXYOXAZOL-2-YL]-6-AMINOBENZOFURAN-5-OXY)-2-(2'-AMINO-5'-METHYLPHENOXY)ETHANE-N,N,N',N'-TETRAACETIC ACID2-[6-[Bis(carboxymethyl)amino]-5-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]-2-benzofuranyl]-5-oxazolecarboxylic acid5-Oxazolecarboxylic acid, 2-[6-[bis(carboxymethyl)amino]-5-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]-2-benzofuranyl]-1-[6-Amino-2-(5-carboxy-2-oxazolyl)-5-benzofuranyloxy]-2-(2-amino-5-methylphenoxy)ethane-N,N,N',N'-tetraaceticacid,pentapotassiumsalt

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
251 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
17
Rotatable bonds
17
Heavy atoms
46
Formal charge
0
Complexity
1,080

Physicochemical properties

Boiling point
983.5 · 983.5±75.0 °C(Predicted)
Density
1.58 · 1.580±0.06 g/cm3(Predicted)
form
Solid
pka
1.7 · 1.70±0.10(Predicted)
Appearance
Solid Powder
Sensitive
Moisture & Light Sensitive
FDA UNII
3 DL106G · TSN3DL106G

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.

Substances that bind to and sequester CALCIUM ions.

Applications · 3 items

DescriptionFura-2 pentasodium salt is a fluorescent ion indicator for intracellular calcium ion measurement.

UsesA very sensitive fluorescent calcium chelator

UsesFluorescent probe for measurement of calcium in biological systems.

Suppliers4 total

武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]

Related reactions

2 records
New reaction record
HRID 440127 reaction equation
HRID 440127As reactantuspto-grants-1996_05
HRID 2400176 reaction equation
HRID 2400176As reactantuspto-grants-1995_09

Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
fura-2 2-[6-(Bis(carboxymethyl)amino)-5-[2-[2-(bis(carboxymethyl)amino)-5-methyl-phenoxy]ethoxy]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylic acid
Fura-2, pentasodium salt2-{6-[bis(carboxymethyl)amino]-5-(2-{2-[bis(carboxymethyl)amino]-5-methylphenoxy}ethoxy)-1-benzofuran-2-yl}-1,3-oxazole-5-carboxylic acidUNII-TSN3DL106GSCHEMBL28430FURA-2 [MI]CHEMBL1206621SCHEMBL29358759SCHEMBL31517726

Database identifiers

CAS
96314-98-6
PubChem CID
57054
DTXSID
DTXSID20242203
ChEMBL
CHEMBL1206621
UNII
TSN3DL106G
Nikkaji
J227.605D