BDY 650-X, SE

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BDY 650-X, SE

BDY 650-X, SE | 235439-04-0

Catelog Number R01-0008
Category BODIPY
Molecular Formula C33H32BF2N5O6
Molecular Weight 643.44
Catalog Number Size Price Quantity
R01-0008 -- $--

Product Introduction

BDY 650-X, SE is a reagent that can be used as a fluorescent agent for the labeling of amines. It can also be used to create biosensor arrays on micro- and nano-structured surfaces.

Chemical Information

Synonyms BDP 650/665 X NHS ester;(T-4)-[2-[4-[2-[2-[([2,2'-Bi-1H-pyrrol]-5-yl-κN1)methylene]-2H-pyrrol-5-yl-κN]ethenyl]phenoxy]-N-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]acetamidato]difluoroboron
Purity ≥90%
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 6-[[2-[4-[(E)-2-[2,2-difluoro-12-(1H-pyrrol-2-yl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]acetyl]amino]hexanoate
Canonical SMILES F[B-]1(F)[N+]2=C(C=CC2=CC3=CC=C(C4=CC=CN4)N13)/C=C/C5=CC=C(OCC(NCCCCCC(ON6C(CCC6=O)=O)=O)=O)C=C5
InChI InChI=1S/C33H32BF2N5O6/c35-34(36)39-24(11-12-25(39)21-26-13-16-29(40(26)34)28-5-4-20-37-28)10-7-23-8-14-27(15-9-23)46-22-30(42)38-19-3-1-2-6-33(45)47-41-31(43)17-18-32(41)44/h4-5,7-16,20-21,37H,1-3,6,17-19,22H2,(H,38,42)/b10-7+
InChI Key CDXXFTJLAKSQSR-JXMROGBWSA-N
Solubility Soluble to 64.34 mg/ml in DMSO.
Appearance Solid

Product Specification

ε, L⋅mol-1⋅cm-1 94000
Fluorescence Quantum Yield 0.52
Excitation 649
Emission 667

Computed Properties

Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 14
Exact Mass 643.2413702 g/mol
Monoisotopic Mass 643.2413702 g/mol
Topological Polar Surface Area 126Ų
Heavy Atom Count 47
Formal Charge 0
Complexity 1340
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

Patents

Publication NumberTitlePriority Date
WO-2020072491-A1 Brevican-binding peptides for brain tumor imaging 2018-10-01
US-2016121002-A1 Bioorthogonal Turn-on Probes 2013-05-06
US-2020188535-A1 Bioorthogonal Turn-on Probes 2013-05-06
US-2016022817-A1 Photoswitchable HDAC Inhibitors 2013-03-13
US-2019070295-A1 Photoswitchable HDAC Inhibitors 2013-03-13
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