BDP 630/650 X NHS ester

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BDP 630/650 X NHS ester

BDP 630/650 X NHS ester | 2213445-35-1

Catalog Number R01-0007
Category BODIPY
Molecular Formula C33H31N4BF2O6S
Molecular Weight 660.5
Catalog Number Size Price Quantity
R01-0007 -- $--

Product Introduction

BDP 630/650 is a borondipyrromethene fluorophore that has a high molar extinction coefficient, excellent quantum yield, and a relatively long lifetime of the excited state. Due to it, this fluorophore is useful for fluorescence polarization assays that allow to detect binding between molecules. This is an amine reactive NHS ester. It contains an aminohexanoyl linker between the fluorophore and the reactive group.

Chemical Information

Related CAS 380367-48-6
Synonyms BODIPY 630/650-X; BDY 630-X, SE; (2,5-dioxopyrrolidin-1-yl) 6-[[2-[4-[(E)-2-(2,2-difluoro-12-thiophen-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; 2,5-dioxopyrrolidin-1-yl (E)-6-(2-(4-(2-(5,5-difluoro-7-(thiophen-2-yl)-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-3-yl)vinyl)phenoxy)acetamido)hexanoate; Succinimidyl-6-[2-(p-{(E)-2-[4,4-difluoro-5-(2-thienyl)-3a,4a-diaza-4-bora-s-indacen-3-yl]ethenyl}phenoxy)acetylamino]hexanoate; BODIPY 630/650X succinimide ester; BDP 630/650 NHS ester; (N-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-2-{4-[2-(2-{[5-(thiophen-2-yl)-1H-pyrrol-2-yl-kappaN]methylene}-2H-pyrrol-5-yl-kappaN)ethenyl]phenoxy}acetamidato)(difluoro)boron
Purity NMR 1H, HPLC-MS (95%)
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 6-[[2-[4-[(E)-2-(2,2-difluoro-12-thiophen-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 [B-]1(N2C(=CC=C2C=CC3=CC=C(C=C3)OCC(=O)NCCCCCC(=O)ON4C(=O)CCC4=O)C=C5[N+]1=C(C=C5)C6=CC=CS6)(F)F
InChI InChI=1S/C33H31BF2N4O6S/c35-34(36)38-24(11-12-25(38)21-26-13-16-28(39(26)34)29-5-4-20-47-29)10-7-23-8-14-27(15-9-23)45-22-30(41)37-19-3-1-2-6-33(44)46-40-31(42)17-18-32(40)43/h4-5,7-16,20-21H,1-3,6,17-19,22H2,(H,37,41)/b10-7+
InChI Key TZBGLTNFAMQEEZ-JXMROGBWSA-N
Solubility good in DMF, DMSO
Appearance dark colored solid
  • Product Specification
ε, L⋅mol-1⋅cm-1 97000
Fluorescence Quantum Yield 0.91
Excitation 628
Emission 642

Computed Properties

Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 14
Exact Mass 660.2025424 g/mol
Monoisotopic Mass 660.2025424 g/mol
Topological Polar Surface Area 138Ų
Heavy Atom Count 47
Formal Charge 0
Complexity 1350
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
US-2021231552-A1 Compositions and methods for cell-like calibration particles 2020-01-24
WO-2021150838-A1 Compositions and methods for cell-like calibration particles 2020-01-24
US-11313782-B2 Compositions and methods for cell-like calibration particles 2020-01-24
US-2022364976-A1 Compositions and methods for cell-like calibration particles 2020-01-24
US-10076509-B2 Nested particles and the use thereof for coordinated delvery of active agents 2015-05-01
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