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	--	$--

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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
Product Specification

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

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	138Å²
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 Number	Title	Priority 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