Calcein

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Calcein

Calcein | 1461-15-0

Catelog Number A14-0009
Category Calcium, Chloride Indictors and Other indicators
Molecular Formula C30H26N2O13
Molecular Weight 622.53
Catalog Number Size Price Quantity
A14-0009 -- $--

Product Introduction

Calcein is a fluorescent calcium indicator. It can be used for the fluorometric determination of calcium and EDTA titration of calcium.

Chemical Information

Related CAS 4370-08-5 (Deleted CAS) 359900-38-2 (Alternate CAS)
Synonyms Fluorescein Complexone; Fluorexon; Oftasceine; Fluorescein, 2',7'-bis[[bis(carboxymethyl)amino]methyl]-; N,N'-[(3',6'-Dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-2',7'-diyl)bis(methylene)]bis[N-(carboxymethyl)glycine]; 2,2',2'',2'''-(((3',6'-Dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-2',7'-diyl)bis(methylene))bis(azanetriyl))tetraacetic acid; 2,7-Bis[N,N-bis(carboxymethyl)aminomethylene]fluorescein; Acetic acid, [(3',6'-dihydroxy-2',7'-fluorandiyl)bis(methylenenitrilo)]tetra-; NSC 298193
Purity ≥95%
IUPAC Name 2-[[7'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl-(carboxymethyl)amino]acetic acid
Canonical SMILES C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C=C4OC5=CC(=C(C=C35)CN(CC(=O)O)CC(=O)O)O)O)CN(CC(=O)O)CC(=O)O
InChI InChI=1S/C30H26N2O13/c33-21-7-23-19(5-15(21)9-31(11-25(35)36)12-26(37)38)30(18-4-2-1-3-17(18)29(43)45-30)20-6-16(22(34)8-24(20)44-23)10-32(13-27(39)40)14-28(41)42/h1-8,33-34H,9-14H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)
InChI Key DEGAKNSWVGKMLS-UHFFFAOYSA-N
Solubility Soluble in Water
Density 1.74±0.1 g/cm3
Appearance Yellow-orange to Orange-brown Powder
Boiling Point 952.7±65.0°C at 760 mmHg
Melting Point 200°C

Product Specification

Excitation 494 nm
Emission 517 nm
Storage Store at RT
Application Used as an indicator of calcium and in biological research.
Signal Warning
GHS Hazard Statements H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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 -3.1
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 12
Exact Mass 622.14348889 g/mol
Monoisotopic Mass 622.14348889 g/mol
Topological Polar Surface Area 232Ų
Heavy Atom Count 45
Formal Charge 0
Complexity 1070
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

Literatures

PMIDPublication DateTitleJournal
29174985 2018-03-01 Role of P-glycoprotein in deoxynivalenol-mediated in vitro toxicity Toxicology letters
26454883 2016-01-01 Nrf2 Regulates the Sensitivity of Mouse Keratinocytes to Nitrogen Mustard via Multidrug Resistance-Associated Protein 1 (Mrp1) Toxicological sciences : an official journal of the Society of Toxicology
23896552 2013-11-01 Antifungal effect and pore-forming action of lactoferricin B like peptide derived from centipede Scolopendra subspinipes mutilans Biochimica et biophysica acta
23816874 2013-10-01 Antifungal property of hibicuslide C and its membrane-active mechanism in Candida albicans Biochimie
23643888 2013-08-01 Isolation of (-)-olivil-9'-O-β-d-glucopyranoside from Sambucus williamsii and its antifungal effects with membrane-disruptive action Biochimica et biophysica acta

Patents

Publication NumberTitlePriority Date
JP-2022163215-A Neurogenesis stimulant, internal medicine, medium additive, cell diluent additive, medium and cell diluent 2022-08-18
CN-115040528-B The application of diflavin D and anti-tumor metastasis drug 2022-08-17
CN-115109753-A A three-dimensional bioprinted gallbladder cancer model and its construction method 2022-08-04
CN-115093961-A A multi-volume droplet digital LAMP nucleic acid absolute quantitative detection device, method and application 2022-07-29
CN-115232195-A Oligopeptide two-dimensional nanomaterials and their applications 2022-07-25
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